Molecule

ID:58435

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N
Molecular Mass
173.2542
Exact Mass
173.12044949
Charge
0
InChI
InChI=1S/C12H15N/c13-2-1-12-10-4-8-3-9(6-10)7-11(12)5-8/h1,8-11H,3-7H2/b12-1-
InChIKey
NHZXMVAENZWIOM-VIJZIMQTSA-N
Canonic Smiles
N#C/C=C/1\C2CC3CC1CC(C2)C3
Isomeric Smiles
C1C2CC3/C(=C\C#N)/C1CC(C2)C3
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4781637
LogD (pH = 7.4)
2.4781637
Log P
2.4781637
Molar Refractivity
52.817
Polarizability
20.252674
Polar Surface Area
23.79
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
No Data Available
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Molecule Details
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References
Bioactivity
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