Molecule

ID:83171

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNO
Molecular Mass
153.56576
Exact Mass
152.99814143
Charge
0
InChI
InChI=1S/C7H4ClNO/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
InChIKey
INWUFXPCLZRSBH-UHFFFAOYSA-N
Canonic Smiles
Clc1noc2c1cccc2
Isomeric Smiles
n1c(c2c(cccc2)o1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.180891
LogD (pH = 7.4)
2.180891
Log P
2.180891
Molar Refractivity
39.6938
Polarizability
15.794333
Polar Surface Area
26.03
Rotatable Bonds
0
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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