Mrv0541 02241216312D          

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M  END
> <DATABASE_ID>
CHEM034550

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1ON(CCC2=CNC=N2)C(=O)C1NC(=O)C1=C(O)C=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H18N4O4/c1-10-14(19-15(22)12-4-2-3-5-13(12)21)16(23)20(24-10)7-6-11-8-17-9-18-11/h2-5,8-10,14,21H,6-7H2,1H3,(H,17,18)(H,19,22)

> <INCHI_KEY>
XYEWTJQWOJBDBL-UHFFFAOYSA-N

> <FORMULA>
C16H18N4O4

> <MOLECULAR_WEIGHT>
330.3385

> <EXACT_MASS>
330.132805084

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
33.05635691698619

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-hydroxy-N-{2-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzamide

> <ALOGPS_LOGP>
1.08

> <JCHEM_LOGP>
0.8994441267196494

> <ALOGPS_LOGS>
-2.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.372917823643537

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.192083042767088

> <JCHEM_PKA_STRONGEST_BASIC>
6.538070901227551

> <JCHEM_POLAR_SURFACE_AREA>
107.55

> <JCHEM_REFRACTIVITY>
85.00410000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.64e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-N-{2-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
Pseudomonine

> <CAS>
172923-94-3

$$$$