Molecule

ID:76271

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃N
Molecular Mass
171.23832
Exact Mass
171.10479942
Charge
0
InChI
InChI=1S/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKey
JNXIFVSGXLGULI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(n1c1ccccc1)C
Isomeric Smiles
n1(c2ccccc2)c(ccc1C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.333887
LogD (pH = 7.4)
3.333887
Log P
3.333887
Molar Refractivity
66.1098
Polarizability
21.93632
Polar Surface Area
4.93
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
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Molecule Details
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References
Bioactivity
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