Molecule

ID:74180

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₃
Molecular Mass
127.0981
Exact Mass
127.02694303
Charge
0
InChI
InChI=1S/C5H5NO3/c1-8-5(7)4-2-3-6-9-4/h2-3H,1H3
InChIKey
ILPCPKZAAQXHKL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccno1
Isomeric Smiles
n1ccc(o1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.26126927
LogD (pH = 7.4)
0.2612693
Log P
0.2612693
Molar Refractivity
29.4028
Polarizability
10.894083
Polar Surface Area
52.33
Rotatable Bonds
2
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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