Molecule

ID:103204

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO
Molecular Mass
87.12036
Exact Mass
87.06841391
Charge
0
InChI
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
InChIKey
FXHOOIRPVKKKFG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N(C)C
Isomeric Smiles
CN(C)C(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-0.58
LogD (pH = 5.5)
-0.58
Log P
-0.58
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.63
Polar Surface Area
20.31
Polarizability
9.62
Molar Refractivity
24.26
LOG S
0.44
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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