Molecule

ID:112815

General Information
Structure
MolImage
Molecular Formula
C₅H₇N
Molecular Mass
81.11578
Exact Mass
81.05784923
Charge
0
InChI
InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3
InChIKey
UVKXJAUUKPDDNW-UHFFFAOYSA-N
Canonic Smiles
C/C=C/CC#N
Isomeric Smiles
C/C=C/CC#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0623547
LogD (pH = 7.4)
1.0623547
Log P
1.0623547
Molar Refractivity
26.5685
Polarizability
9.543683
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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