Molecule

ID:125146

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO
Molecular Mass
73.09378
Exact Mass
73.05276385
Charge
0
InChI
InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
InChIKey
BCDGQXUMWHRQCB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CN
Isomeric Smiles
O=C(C)CN
Calculated Properties
JChem
LogD (pH = 7.4)
-1.39
LogD (pH = 5.5)
-3.08
Log P
-0.82
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
7.84
Polar Surface Area
43.09
Polarizability
7.69
Molar Refractivity
19.55
LOG S
0.41
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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