Molecule

ID:38300

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₃
Molecular Mass
127.0981
Exact Mass
127.02694303
Charge
0
InChI
InChI=1S/C5H5NO3/c7-3-6-4(8)1-2-5(6)9/h1-2,7H,3H2
InChIKey
BHPDNFUVYQFFNK-UHFFFAOYSA-N
Canonic Smiles
OCN1C(=O)C=CC1=O
Isomeric Smiles
C1=CC(=O)N(C1=O)CO
Calculated Properties
JChem
Acid pKa
13.905349
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9922279
LogD (pH = 7.4)
-0.9922281
Log P
-0.9922279
Molar Refractivity
29.3499
Polarizability
11.009484
Polar Surface Area
57.61
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
No Data Available
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Molecule Details
References
Bioactivity
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