CYTOCHLOR

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Synonyms
Status
Molecule Category Free-form
UNII J14D49ZN55
EPA CompTox DTXSID40186099

Structure

InChI Key NGGRGTWYSXYVDK-RRKCRQDMSA-N
Smiles Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl
InChI
InChI=1S/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12ClN3O4
Molecular Weight 261.67
AlogP -0.88
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 110.6
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297275
DrugBank DB12383
FDA SRS J14D49ZN55
PubChem 100802
SureChEMBL SCHEMBL1229783
ZINC ZINC000017142058
CONTENTS