Molecule

ID:127913

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO₂
Molecular Mass
89.09318
Exact Mass
89.04767847
Charge
0
InChI
InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3
InChIKey
SKRDXYBATCVEMS-UHFFFAOYSA-N
Canonic Smiles
CC(ON=O)C
Isomeric Smiles
O=NOC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3174813
LogD (pH = 7.4)
1.3174814
Log P
1.3174814
Molar Refractivity
22.3714
Polarizability
8.081925
Polar Surface Area
38.66
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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