Molecule

ID:10109

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c12-5-7(6-13)10-11-8-3-1-2-4-9(8)14-10/h1-7H
InChIKey
MEERYQZEXZMOGC-UHFFFAOYSA-N
Canonic Smiles
O=CC(c1nc2c(o1)cccc2)C=O
Isomeric Smiles
c1ccc2c(c1)nc(o2)C(C=O)C=O
Calculated Properties
JChem
Acid pKa
-4.9886847
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.4449415
LogD (pH = 7.4)
-2.4465632
Log P
0.75260496
Molar Refractivity
47.9488
Polarizability
19.497051
Polar Surface Area
60.17
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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