Molecule

ID:116137

General Information
Structure
Molecular Formula
C₃H₇NO
Molecular Mass
73.09378
Exact Mass
73.05276385
Charge
0
InChI
InChI=1S/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2
InChIKey
GMWFCJXSQQHBPI-UHFFFAOYSA-N
Canonic Smiles
OC1CNC1
Isomeric Smiles
N1CC(C1)O
Calculated Properties
JChem
Acid pKa
14.811825
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.0100617
LogD (pH = 7.4)
-2.5058627
Log P
-0.99473834
Molar Refractivity
18.6869
Polarizability
7.6825223
Polar Surface Area
32.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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