Molecule

ID:116564

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClN
Molecular Mass
241.71548
Exact Mass
241.06582707
Charge
0
InChI
InChI=1S/C15H12ClN/c16-14-7-3-1-6-13(14)11-17-10-9-12-5-2-4-8-15(12)17/h1-10H,11H2
InChIKey
ZDPABBCSBXKBNH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1Cn1ccc2c1cccc2
Isomeric Smiles
n1(ccc2c1cccc2)Cc1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.624202
LogD (pH = 7.4)
4.624202
Log P
4.624202
Molar Refractivity
71.4586
Polarizability
28.815245
Polar Surface Area
4.93
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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