Molecule

ID:32565

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N
Molecular Mass
121.17964
Exact Mass
121.08914936
Charge
0
InChI
InChI=1S/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+
InChIKey
VMELXYJYSXXORF-ZZXKWVIFSA-N
Canonic Smiles
N#C/C=C/C1CCCC1
Isomeric Smiles
C1CC(CC1)/C=C/C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.301197
LogD (pH = 7.4)
2.301197
Log P
2.301197
Molar Refractivity
38.4936
Polarizability
14.343482
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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