Molecule

ID:111485

General Information
Structure
MolImage
Molecular Formula
C₃H₉NO
Molecular Mass
75.10966
Exact Mass
75.06841391
Charge
0
InChI
InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
InChIKey
UYPYRKYUKCHHIB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](C)(C)C
Isomeric Smiles
C[N+](C)(C)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
-0.93
LogD (pH = 5.5)
-0.94
Log P
-0.93
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
4.66
Polar Surface Area
23.06
Polarizability
8.40
Molar Refractivity
22.03
LOG S
0.58
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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