Molecule

ID:36548

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂
Molecular Mass
222.62778
Exact Mass
222.01960515
Charge
0
InChI
InChI=1S/C10H7ClN2O2/c11-6-9-8(10(14)15-13-9)5-7-3-1-2-4-12-7/h1-5H,6H2/b8-5+
InChIKey
GNBAXRVRVCMWTJ-VMPITWQZSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccccn1
Isomeric Smiles
C\1(=C\c2ncccc2)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1959422
LogD (pH = 7.4)
2.215089
Log P
2.2153392
Molar Refractivity
55.164
Polarizability
21.114613
Polar Surface Area
51.55
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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