Molecule

ID:17258

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c14-11(15)10-5-2-1-4-9(10)8-13-7-3-6-12-13/h1-7H,8H2,(H,14,15)
InChIKey
QEJSUDVSIYAPKL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1Cn1cccn1
Isomeric Smiles
c1(c(cccc1)C(=O)O)Cn1cccn1
Calculated Properties
JChem
Acid pKa
3.6634977
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.06064609
LogD (pH = 7.4)
-1.5404311
Log P
1.6577507
Molar Refractivity
66.8302
Polarizability
20.824728
Polar Surface Area
55.12
Rotatable Bonds
3
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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