Molecule

ID:3780

General Information
Structure
Molecular Formula
C₃H₇NO
Molecular Mass
73.09378
Exact Mass
73.05276385
Charge
0
InChI
InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
InChIKey
QLNJFJADRCOGBJ-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)N
Isomeric Smiles
CCC(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.33
LogD (pH = 5.5)
-0.33
Log P
-0.33
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.55
Polar Surface Area
43.09
Polarizability
7.64
Molar Refractivity
19.09
LOG S
0.13
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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