Molecule

ID:62439

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClN
Molecular Mass
205.68338
Exact Mass
205.06582707
Charge
0
InChI
InChI=1S/C12H12ClN/c1-7-4-9(3)12-10(5-7)8(2)6-11(13)14-12/h4-6H,1-3H3
InChIKey
QELGNYILIXTHBQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(C)cc(n2)Cl
Isomeric Smiles
c12c(c(cc(n1)Cl)C)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4953446
LogD (pH = 7.4)
4.495386
Log P
4.4953866
Molar Refractivity
60.969
Polarizability
24.186285
Polar Surface Area
12.89
Rotatable Bonds
0
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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