Molecule

ID:41234

General Information
Structure
Molecular Formula
C₁₂H₁₀ClN
Molecular Mass
203.6675
Exact Mass
203.05017701
Charge
0
InChI
InChI=1S/C12H10ClN/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8H2
InChIKey
GKDIPQQWMXERFU-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(nc1)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)ccc(c1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.359071
LogD (pH = 7.4)
3.375675
Log P
3.3758912
Molar Refractivity
58.5322
Polarizability
24.078142
Polar Surface Area
12.89
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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