Molecule

ID:10945

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₃
Molecular Mass
230.2194
Exact Mass
230.06914219
Charge
0
InChI
InChI=1S/C12H10N2O3/c1-8-13-6-7-14(8)11(15)9-4-2-3-5-10(9)12(16)17/h2-7H,1H3,(H,16,17)
InChIKey
NZNSEDVIXKALDG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1C(=O)n1ccnc1C
Isomeric Smiles
n1(C(=O)c2c(C(=O)O)cccc2)c(ncc1)C
Calculated Properties
JChem
Acid pKa
2.762176
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.7138528
LogD (pH = 7.4)
-2.6722343
Log P
-0.01642702
Molar Refractivity
60.6505
Polarizability
22.733446
Polar Surface Area
72.19
Rotatable Bonds
2
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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