Molecule

ID:91180

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c12-7-9-3-4-10(14-9)13-8-2-1-5-11-6-8/h1-7H
InChIKey
GXAKPDWNMSFIQY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)Oc1cccnc1
Isomeric Smiles
o1c(ccc1C=O)Oc1cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0796282
LogD (pH = 7.4)
1.1173918
Log P
1.1179006
Molar Refractivity
48.3701
Polarizability
18.560564
Polar Surface Area
52.33
Rotatable Bonds
3
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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