Molecule

ID:69833

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N
Molecular Mass
173.2542
Exact Mass
173.12044949
Charge
0
InChI
InChI=1S/C12H15N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8H2,1-3H3
InChIKey
QKJPXROEIJPNHG-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(#N)Cc1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
14.42293
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2139993
LogD (pH = 7.4)
3.2139993
Log P
3.2139993
Molar Refractivity
55.0108
Polarizability
21.17147
Polar Surface Area
23.79
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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