Molecule

ID:33604

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-13-7-6-12-10(13)8-4-2-3-5-9(8)11(14)15/h2-7H,1H3,(H,14,15)
InChIKey
WWLQWPGPXBFVTN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1c1nccn1C
Isomeric Smiles
c1(c2c(C(=O)O)cccc2)n(ccn1)C
Calculated Properties
JChem
Acid pKa
3.0219314
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.38167876
LogD (pH = 7.4)
-0.7630235
Log P
0.44130215
Molar Refractivity
66.2673
Polarizability
21.49691
Polar Surface Area
55.12
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
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Molecule Details
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References
Bioactivity
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