Molecule

ID:88970

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄
Molecular Mass
205.16688
Exact Mass
205.03750771
Charge
0
InChI
InChI=1S/C10H7NO4/c12-10(13)8-3-4-9(15-8)14-7-2-1-5-11-6-7/h1-6H,(H,12,13)
InChIKey
ZTYMSWYWSCYFAF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)Oc1cccnc1
Isomeric Smiles
n1cc(ccc1)Oc1ccc(o1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1164517
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.94025594
LogD (pH = 7.4)
-2.3044016
Log P
-0.040840138
Molar Refractivity
49.0423
Polarizability
19.054438
Polar Surface Area
72.56
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
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Molecule Details
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References
Bioactivity
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