Molecule

ID:35260

General Information
Structure
MolImage
Molecular Formula
C₅H₇NO₃
Molecular Mass
129.11398
Exact Mass
129.04259309
Charge
0
InChI
InChI=1S/C5H7NO3/c1-9-5(8)2-3-6-4-7/h2-3H2,1H3
InChIKey
QLTHBWIACSBXPR-UHFFFAOYSA-N
Canonic Smiles
O=C=NCCC(=O)OC
Isomeric Smiles
C(=NCCC(=O)OC)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.18172944
LogD (pH = 7.4)
-0.18172944
Log P
-0.18172944
Molar Refractivity
28.8913
Polarizability
11.340778
Polar Surface Area
55.73
Rotatable Bonds
4
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
No Data Available
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Molecule Details
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References
Bioactivity
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