Molecule

ID:84084

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClN
Molecular Mass
227.6889
Exact Mass
227.05017701
Charge
0
InChI
InChI=1S/C14H10ClN/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H
InChIKey
KDNXKQSAAZNUCK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1cc2c([nH]1)cccc2
Isomeric Smiles
[nH]1c(cc2c1cccc2)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
15.093965
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
4.243279
LogD (pH = 7.4)
4.243279
Log P
4.243279
Molar Refractivity
66.963
Polarizability
28.480837
Polar Surface Area
15.79
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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