-氨基丁酸三维结构(DB02530)

6992099 oechem - 10051719573 d 16 15 0 0 0 0 0 0 0999 V2000型2.6940 -0.7249 0.0621 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6736 1.3168 -0.0113 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3374 0.3499 0.0576 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8936 0.2356 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1819 -0.5771 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3445 -0.6557 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7008 0.0554 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8841 0.9004 -0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 0.8826 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0-2.2438 -1.2314 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3039 -1.1672 -0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -1.2664 -0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 -1.3474 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 0.9890 -0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3086 0.9247 0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2264 -0.1674 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 7 2 0 0 0 0 3 1 5 0 0 0 0 3 14 1 0 0 0 0 3 16 15 1 0 0 0 0 3 1 5 0 0 0 0 4 1 1 0 0 0 0 4 6 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 05 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 M CHG 2 1 1 3 M结束> < DATABASE_ID > DB02530 > < DATABASE_NAME > drbeplay体育安全吗ugbank > < ORIGINAL_SOURCE > PUBCHEM > < ORIGINAL_SOURCE_URL > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BTCSSZJGUNDROE-UHFFFAOYSA-N/SDF?record_type=3d > <笑> NCCCC (O) = O > < INCHI_IDENTIFIER > InChI = 1 s / C4H9NO2 c5-3-1-2-4 (6) 7 / h1-3 5 h2 (H、6、7)> < INCHI_KEY > BTCSSZJGUNDROE-UHFFFAOYSA-N > <表达式> C4H9NO2 > < MOLECULAR_WEIGHT > 103.1198 > < EXACT_MASS >103.063328537 > < JCHEM_ACCEPTOR_COUNT > 3 > < JCHEM_ATOM_COUNT > 16 > < JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE > 0.00029718906052100813 > < JCHEM_AVERAGE_POLARIZABILITY > 10.620172993817706 > < JCHEM_BIOAVAILABILITY > 1 > < JCHEM_DONOR_COUNT > 2 > < JCHEM_FORMAL_CHARGE > 0 > < JCHEM_GHOSE_FILTER > 0 > < JCHEM_IUPAC > 4-aminobutanoic酸> < ALOGPS_LOGP > -2.99 > < JCHEM_LOGP > -2.8856771979836466 > < ALOGPS_LOGS > 0.55 > < JCHEM_MDDR_LIKE_RULE > 0 > < JCHEM_NEUTRAL_CHARGE > 0 > < JCHEM_NUMBER_OF_RINGS > 0 ><JCHEM_PHYSIOLOGICAL_CHARGE> 0 > < jchem_pka_strong gest_> 4.527850005009431 > < jchem_pka_strong gest_basic > 10.21520969871372 > <JCHEM_POLAR_SURFACE_AREA> 63.32 > <JCHEM_REFRACTIVITY> 25.4578 > <JCHEM_ROTATABLE_BOND_COUNT> 3 > <JCHEM_RULE_OF_FIVE> 1 > < alogps_可溶性> 3.65e+02 g/l > <JCHEM_TRADITIONAL_IUPAC>四氢叶酸> <JCHEM_VEBER_RULE> 0 $$$$

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-氨基丁酸三维结构(DB02530)

-氨基丁酸结构(DB02530)