Molecule

ID:41263

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c1-19-15(18)12-7-8-14-16-13(10-17(14)9-12)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
WMTWCOINJCALHE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2n(c1)cc(n2)c1ccccc1
Isomeric Smiles
n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6674638
LogD (pH = 7.4)
2.794202
Log P
2.796102
Molar Refractivity
72.7259
Polarizability
28.672178
Polar Surface Area
43.6
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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