3 d结构Diiodohydroxypropane (DB13383)

68295 oechem 11 - 10061700203 d 12 0 0 0 0 0 0 0999 V2000型-3.0418 -0.2337 -0.3687 0 0 0 0 0 0 0 0 0 0 0 0 3.0405 -0.2286 -0.3703我0 0 0 0 0 0 0 0 0 0 0 0 0.0087 -1.2215 0.4518 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 0.0536 -0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2605 0.8154 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2552 0.8148 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -0.1170 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2685 1.8190 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 0.9220 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2849 0.9194 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2622 1.8194 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -1.0728 1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 1 1 5 0 0 0 0 2 6 1 4 0 0 0 0 3 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 9 0 0 0 0 5 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M结束> < DATABASE_ID > DB13383 > < DATABASE_NAME > dbeplay体育安全吗rugbank > < ORIGINAL_SOURCE > PUBCHEM > < ORIGINAL_SOURCE_URL > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DNKPFCQEGBJJTE-UHFFFAOYSA-N/SDF?record_type = 3 d > <笑> OC (CI) CI > < INCHI_IDENTIFIER > InChI = 1 s / C3H6I2O c4-1-3 (6) 2 - 5 / h3, 6 h, 1-2H2 > < INCHI_KEY > DNKPFCQEGBJJTE-UHFFFAOYSA-N > <公式> C3H6I2O > < MOLECULAR_WEIGHT > 311.889 > < EXACT_MASS > 311.8508 > < JCHEM_ACCEPTOR_COUNT > 1 > < JCHEM_ATOM_COUNT > 12 > < JCHEM_AVERAGE_POLARIZABILITY > 17.307382214069158 > < JCHEM_BIOAVAILABILITY > 1 > < JCHEM_DONOR_COUNT > 1 > < JCHEM_FORMAL_CHARGE > 0 > < JCHEM_GHOSE_FILTER > 0 > < JCHEM_IUPAC > 1, 3-diiodopropan-2-ol > < ALOGPS_LOGP > 1.88 > < JCHEM_LOGP > 1.7899007433333334 > < ALOGPS_LOGS > -2.74 > < JCHEM_MDDR_LIKE_RULE > 0 > < JCHEM_NUMBER_OF_RINGS > 0 > < JCHEM_PHYSIOLOGICAL_CHARGE > 0 > < JCHEM_PKA_STRONGEST_ACIDIC > 14.163704362769185 > < JCHEM_PKA_STRONGEST_BASIC > -3.1645957117247594 > < JCHEM_POLAR_SURFACE_AREA > 20.23 > < JCHEM_REFRACTIVITY > 43.390499999999996 > < JCHEM_ROTATABLE_BOND_COUNT > 2 > < JCHEM_RULE_OF_FIVE > 1 > < ALOGPS_SOLUBILITY > 5.64 e-01 g / l > < JCHEM_TRADITIONAL_IUPAC > diiodohydroxypropane > < JCHEM_VEBER_RULE > 1 $ $ $ $

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