Molecule

ID:136195

General Information
Structure
MolImage
Molecular Formula
C₃H₇N
Molecular Mass
61.06575341
Exact Mass
61.06494864
Charge
0
InChI
InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2/i1+1,2+1,3+1,4+1
InChIKey
VVJKKWFAADXIJK-JCDJMFQYSA-N
Canonic Smiles
[15NH2][13CH2][13CH]=[13CH2]
Isomeric Smiles
[13CH2]=[13CH][13CH2][15NH2]
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.8962486
LogD (pH = 7.4)
-2.0909507
Log P
0.10579096
Molar Refractivity
19.0815
Polarizability
7.571886
Polar Surface Area
26.02
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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