Molecule

ID:68489

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNO
Molecular Mass
153.56576
Exact Mass
152.99814143
Charge
0
InChI
InChI=1S/C7H4ClNO/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKey
OPFFYLJLHPZSEO-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc2c1cco2
Isomeric Smiles
c1(c2c(ccn1)occ2)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7389158
LogD (pH = 7.4)
1.7389187
Log P
1.7389187
Molar Refractivity
38.6083
Polarizability
15.751067
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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