Molecule

ID:90576

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO₄
Molecular Mass
193.15618
Exact Mass
193.03750771
Charge
0
InChI
InChI=1S/C9H7NO4/c1-13-6-4-2-3-5-7(6)8(11)14-9(12)10-5/h2-4H,1H3,(H,10,12)
InChIKey
KIZGBTDENGRWRS-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1c(=O)oc(=O)[nH]2
Isomeric Smiles
o1c(=O)c2c(cccc2OC)[nH]c1=O
Calculated Properties
JChem
Acid pKa
9.301543
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3183718
LogD (pH = 7.4)
1.3132942
Log P
1.3184369
Molar Refractivity
48.2895
Polarizability
17.834732
Polar Surface Area
64.63
Rotatable Bonds
1
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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