Molecule
ID:79961
General Information
Molecular Formula
C₁₂H₁₅N
Molecular Mass
173.2542
Exact Mass
173.12044949
Charge
0
InChI
InChI=1S/C12H15N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-9H,2-5H2,1H3
InChIKey
LGPQFJXPPKNHJU-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)C#N
Isomeric Smiles
N#Cc1ccc(cc1)CCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.121038
LogD (pH = 7.4)
4.121038
Log P
4.121038
Molar Refractivity
55.2248
Polarizability
21.329914
Polar Surface Area
23.79
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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