Molecule

ID:2551

General Information
Structure
MolImage
Molecular Formula
C₅H₇NO₂
Molecular Mass
113.11458
Exact Mass
113.04767847
Charge
0
InChI
InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)
InChIKey
RHTAIKJZSXNELN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1=NCCC1
Isomeric Smiles
OC(=O)C1=NCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.67
LogD (pH = 5.5)
-1.05
Log P
0.53
Rotatable Bonds
1
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.93
Polar Surface Area
49.66
Polarizability
10.92
Molar Refractivity
27.84
LOG S
0.04
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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