Molecule

ID:9846

General Information
Structure
Molecular Formula
C₁₀H₈ClN
Molecular Mass
177.63022
Exact Mass
177.03452694
Charge
0
InChI
InChI=1S/C10H8ClN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3
InChIKey
WQZQFYRSYLXBGP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc(cc2)C
Isomeric Smiles
c1c(cc2c(c1)ccc(n2)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8418026
LogD (pH = 7.4)
2.8659978
Log P
2.8663154
Molar Refractivity
49.3756
Polarizability
20.59601
Polar Surface Area
12.89
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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