Molecule

ID:2350

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO₅
Molecular Mass
209.15558
Exact Mass
209.03242233
Charge
0
InChI
InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15)
InChIKey
QBYNNSFEMMNINN-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)O)Nc1ccccc1C(=O)O
Isomeric Smiles
c1cc(c(cc1)C(=O)O)NC(=O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.40
LogD (pH = 5.5)
-3.61
Log P
1.48
Rotatable Bonds
3
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
2.11
Polar Surface Area
103.70
Polarizability
18.53
Molar Refractivity
49.97
LOG S
-1.86
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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