Molecule

ID:115266

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO₄
Molecular Mass
193.15618
Exact Mass
193.03750771
Charge
0
InChI
InChI=1S/C9H7NO4/c1-12-9(11)6-5-8(14-10-6)7-3-2-4-13-7/h2-5H,1H3
InChIKey
VTEZSUGFQUZAQW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1noc(c1)c1ccco1
Isomeric Smiles
c1(cc(on1)c1occc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1545917
LogD (pH = 7.4)
1.1545917
Log P
1.1545917
Molar Refractivity
46.5579
Polarizability
18.631458
Polar Surface Area
65.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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