Molecule
ID:123882
General Information
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-13(9-5-8-12)10-11-6-3-2-4-7-11/h2-4,6-7H,5,9-10H2,1H3
InChIKey
PRTAQXYGPJREAD-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccccc1)CCC#N
Isomeric Smiles
N#CCCN(Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.4388973
LogD (pH = 7.4)
1.6041883
Log P
1.6875875
Molar Refractivity
54.364
Polarizability
20.927143
Polar Surface Area
27.03
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
No Data Available
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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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