Molecule

ID:136996

General Information
Structure
MolImage
Molecular Formula
C₈H₇N
Molecular Mass
117.14788
Exact Mass
117.05784923
Charge
0
InChI
InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey
SUSQOBVLVYHIEX-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccccc1
Isomeric Smiles
c1ccc(cc1)CC#N
Calculated Properties
JChem
Acid pKa
14.333496
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6689429
LogD (pH = 7.4)
1.6689429
Log P
1.6689429
Molar Refractivity
36.3449
Polarizability
13.892895
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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