Molecule

ID:87952

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClNO
Molecular Mass
165.57646
Exact Mass
164.99814143
Charge
0
InChI
InChI=1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H
InChIKey
USEDMAWWQDFMFY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)C(=O)Cl
Isomeric Smiles
N#Cc1ccc(cc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0202546
LogD (pH = 7.4)
2.0202546
Log P
2.0202546
Molar Refractivity
42.8943
Polarizability
15.927357
Polar Surface Area
40.86
Rotatable Bonds
1
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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