Molecule

ID:43537

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO₃
Molecular Mass
177.15678
Exact Mass
177.04259309
Charge
0
InChI
InChI=1S/C9H7NO3/c1-12-9(11)6-2-3-8-7(4-6)10-5-13-8/h2-5H,1H3
InChIKey
VHLBJWCXFIGALN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)nco2
Isomeric Smiles
n1c2cc(C(=O)OC)ccc2oc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3233422
LogD (pH = 7.4)
1.3233423
Log P
1.3233423
Molar Refractivity
44.7484
Polarizability
18.254288
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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