Molecule

ID:33030

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNO
Molecular Mass
153.56576
Exact Mass
152.99814143
Charge
0
InChI
InChI=1S/C7H4ClNO/c8-5-3-7-6(9-4-5)1-2-10-7/h1-4H
InChIKey
JVLOPJUYEYEQIA-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2c(c1)occ2
Isomeric Smiles
c1(cnc2c(c1)occ2)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9045577
LogD (pH = 7.4)
1.9045913
Log P
1.9045918
Molar Refractivity
37.175
Polarizability
15.698583
Polar Surface Area
26.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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