Molecule

ID:76223

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂
Molecular Mass
70.09314
Exact Mass
70.0530982
Charge
0
InChI
InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3
InChIKey
OAGOUCJGXNLJNL-UHFFFAOYSA-N
Canonic Smiles
CN(C#N)C
Isomeric Smiles
N(C)(C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.17068596
LogD (pH = 7.4)
0.17068596
Log P
0.17068596
Molar Refractivity
20.947
Polarizability
7.244591
Polar Surface Area
27.03
Rotatable Bonds
0
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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