Molecule

ID:44136

General Information
Structure
Molecular Formula
C₁₅H₁₂N₂O
Molecular Mass
236.26858
Exact Mass
236.09496301
Charge
0
InChI
InChI=1S/C15H12N2O/c16-15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,16H2
InChIKey
MKTGTKMMOOARLO-UHFFFAOYSA-N
Canonic Smiles
Nc1onc(c1)c1ccc(cc1)c1ccccc1
Isomeric Smiles
c1c(noc1N)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.772601
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2783573
LogD (pH = 7.4)
3.278456
Log P
3.2784574
Molar Refractivity
71.3541
Polarizability
29.468948
Polar Surface Area
52.05
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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