Molecule

ID:50877

General Information
Structure
MolImage
Molecular Formula
C₃H₇N
Molecular Mass
57.09438
Exact Mass
57.05784923
Charge
0
InChI
InChI=1S/C3H7N/c1-2-4-3-1/h4H,1-3H2
InChIKey
HONIICLYMWZJFZ-UHFFFAOYSA-N
Canonic Smiles
C1CCN1
Isomeric Smiles
N1CCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-3.30
LogD (pH = 5.5)
-3.54
Log P
-0.30
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.77
Polar Surface Area
12.03
Polarizability
6.84
Molar Refractivity
17.59
LOG S
0.66
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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