Molecule

ID:2372

General Information
Structure
MolImage
Molecular Formula
C₂H₅NO
Molecular Mass
59.0672
Exact Mass
59.03711379
Charge
0
InChI
InChI=1S/C2H5NO/c1-2-3-4/h2H2,1H3
InChIKey
IFYCAQIXDKZDTB-UHFFFAOYSA-N
Canonic Smiles
CCN=O
Isomeric Smiles
CCN=O
Calculated Properties
JChem
LogD (pH = 7.4)
0.32
LogD (pH = 5.5)
0.32
Log P
0.32
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.64
Polar Surface Area
29.43
Polarizability
5.82
Molar Refractivity
14.59
LOG S
-0.13
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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