Molecule

ID:114169

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂N₂O
Molecular Mass
260.28998
Exact Mass
260.09496301
Charge
0
InChI
InChI=1S/C17H12N2O/c20-17-8-7-16(18-19-17)12-5-6-15-13(10-12)9-11-3-1-2-4-14(11)15/h1-8,10H,9H2,(H,19,20)
InChIKey
KWSFVBZNHJZKHV-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(nn1)c1ccc2c(c1)Cc1c2cccc1
Isomeric Smiles
c12c(c3c(C1)cccc3)ccc(c2)c1nnc(cc1)O
Calculated Properties
JChem
Acid pKa
8.476004
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.8650641
LogD (pH = 7.4)
3.8310225
Log P
3.8655448
Molar Refractivity
79.6384
Polarizability
32.21279
Polar Surface Area
46.01
Rotatable Bonds
1
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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