Molecule

ID:101870

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN
Molecular Mass
177.63022
Exact Mass
177.03452694
Charge
0
InChI
InChI=1S/C10H8ClN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
InChIKey
UMYPPRQNLXTIEQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2ccccc2nc1Cl
Isomeric Smiles
n1c(c(cc2c1cccc2)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4685311
LogD (pH = 7.4)
3.4685435
Log P
3.4685438
Molar Refractivity
50.8866
Polarizability
20.65926
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
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References
Bioactivity
Navigation
CAS 57876-69-4|2-chloro-3-methylquinoline|2-chloro-3-methylquinoline|2-chloro-3-methylquinoline|2-Chloro-3-methylquinoline|2-氯-3-甲基喹啉 | Molfinder