Molecule

ID:88408

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)
InChIKey
UHBIKXOBLZWFKM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(n1)c(O)ccc2
Isomeric Smiles
n1c(ccc2cccc(c12)O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.2181772
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.07220231
LogD (pH = 7.4)
-1.3817744
Log P
0.61564636
Molar Refractivity
48.8444
Polarizability
19.882551
Polar Surface Area
70.42
Rotatable Bonds
1
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
References
Bioactivity
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