Molecule

ID:73833

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N
Molecular Mass
157.21174
Exact Mass
157.08914936
Charge
0
InChI
InChI=1S/C11H11N/c1-2-3-6-10-7-4-5-8-11(10)9-12/h2,4-5,7-8H,1,3,6H2
InChIKey
COEKIOUOIHGYEJ-UHFFFAOYSA-N
Canonic Smiles
C=CCCc1ccccc1C#N
Isomeric Smiles
N#Cc1ccccc1CCC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3724813
LogD (pH = 7.4)
3.3724813
Log P
3.3724813
Molar Refractivity
50.6679
Polarizability
19.252409
Polar Surface Area
23.79
Rotatable Bonds
3
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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