Molecule

ID:54422

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-2-8-4-6-3-7(10(13)14)5-11-9(6)12-8/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
InChIKey
YZHXLFCIHKFJDA-UHFFFAOYSA-N
Canonic Smiles
CCc1cc2c([nH]1)ncc(c2)C(=O)O
Isomeric Smiles
c1(cnc2c(c1)cc([nH]2)CC)C(=O)O
Calculated Properties
JChem
Acid pKa
1.7711662
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.046706736
LogD (pH = 7.4)
-1.6186318
Log P
0.9590989
Molar Refractivity
51.8701
Polarizability
19.912296
Polar Surface Area
65.98
Rotatable Bonds
2
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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