Molecule

ID:9848

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN
Molecular Mass
177.63022
Exact Mass
177.03452694
Charge
0
InChI
InChI=1S/C10H8ClN/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,1H3
InChIKey
VVLYDFPOGMTMFJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)c(Cl)ccc2
Isomeric Smiles
c1(Cl)c2c(ccc(n2)C)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8611557
LogD (pH = 7.4)
2.86625
Log P
2.8663154
Molar Refractivity
49.3756
Polarizability
20.620377
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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