Molecule

ID:88583

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN
Molecular Mass
177.63022
Exact Mass
177.03452694
Charge
0
InChI
InChI=1S/C10H8ClN/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChIKey
HZWWPOQFLMUYOX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(Cl)ccn2
Isomeric Smiles
n1ccc(c2c1ccc(c2)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.243524
LogD (pH = 7.4)
3.2483053
Log P
3.2483666
Molar Refractivity
49.8253
Polarizability
20.605242
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
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