Molecule
ID:34651
General Information
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c1-4(2)6-3-5(7)8/h6H,1,3H2,2H3,(H,7,8)
InChIKey
BZQJDQJGEICFFG-UHFFFAOYSA-N
Canonic Smiles
CC(=C)NCC(=O)O
Isomeric Smiles
C(=O)(CNC(=C)C)O
Calculated Properties
JChem
Acid pKa
2.1329644
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.6081765
LogD (pH = 7.4)
-2.6105442
Log P
-2.6081402
Molar Refractivity
30.2893
Polarizability
11.384816
Polar Surface Area
49.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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