Molecule

ID:52348

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN
Molecular Mass
177.63022
Exact Mass
177.03452694
Charge
0
InChI
InChI=1S/C10H8ClN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H
InChIKey
LTOQUFIOYDCJFJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)n1cccc1
Isomeric Smiles
n1(cccc1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0798
LogD (pH = 7.4)
3.0798
Log P
3.0798
Molar Refractivity
60.6152
Polarizability
20.172539
Polar Surface Area
4.93
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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