Molecule

ID:62552

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClN
Molecular Mass
205.68338
Exact Mass
205.06582707
Charge
0
InChI
InChI=1S/C12H12ClN/c1-3-9-7-10-6-4-5-8(2)11(10)14-12(9)13/h4-7H,3H2,1-2H3
InChIKey
UWYOLSCCWFXYRG-UHFFFAOYSA-N
Canonic Smiles
CCc1cc2cccc(c2nc1Cl)C
Isomeric Smiles
n1c(c(cc2c1c(ccc2)C)CC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.426521
LogD (pH = 7.4)
4.4265337
Log P
4.4265337
Molar Refractivity
60.5288
Polarizability
24.269716
Polar Surface Area
12.89
Rotatable Bonds
1
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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