Molecule

ID:3373

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₂
Molecular Mass
101.10388
Exact Mass
101.04767847
Charge
0
InChI
InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-
InChIKey
PAWSVPVNIXFKOS-IHWYPQMZSA-N
Canonic Smiles
C/C=C(/C(=O)O)\N
Isomeric Smiles
C/C=C(\N)/C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.37
LogD (pH = 5.5)
-2.36
Log P
-2.34
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.19
Polar Surface Area
63.32
Polarizability
9.75
Molar Refractivity
26.59
LOG S
0.01
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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