Molecule

ID:44796

General Information
Structure
MolImage
Molecular Formula
C₉H₅NO₅
Molecular Mass
207.1397
Exact Mass
207.01677227
Charge
0
InChI
InChI=1S/C9H5NO5/c11-7(12)4-2-1-3-5-6(4)10-9(14)15-8(5)13/h1-3H,(H,10,14)(H,11,12)
InChIKey
HVIZTWSCWFPXES-UHFFFAOYSA-N
Canonic Smiles
O=c1oc(=O)c2c([nH]1)c(ccc2)C(=O)O
Isomeric Smiles
c12c(c(=O)oc(=O)[nH]2)cccc1C(=O)O
Calculated Properties
JChem
Acid pKa
2.994663
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.3338
LogD (pH = 7.4)
-2.3460753
Log P
1.1336911
Molar Refractivity
49.0825
Polarizability
17.753258
Polar Surface Area
92.7
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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