Molecule

ID:50244

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₃
Molecular Mass
143.14056
Exact Mass
143.05824315
Charge
0
InChI
InChI=1S/C6H9NO3/c8-5-4(6(9)10)2-1-3-7-5/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKey
HQSIETYOWKHBCH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCNC1=O
Isomeric Smiles
C1(C(=O)NCCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8677275
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.0371773
LogD (pH = 7.4)
-3.630327
Log P
-0.40036175
Molar Refractivity
33.1506
Polarizability
12.907137
Polar Surface Area
66.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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