Molecule

ID:34075

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O
Molecular Mass
236.26858
Exact Mass
236.09496301
Charge
0
InChI
InChI=1S/C15H12N2O/c18-11-12-3-4-15-14(8-12)5-7-17(15)10-13-2-1-6-16-9-13/h1-9,11H,10H2
InChIKey
BBTYLTXCELCDPC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)ccn2Cc1cccnc1
Isomeric Smiles
c1cc(cc2c1n(cc2)Cc1cccnc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3443902
LogD (pH = 7.4)
2.5122125
Log P
2.514987
Molar Refractivity
71.0809
Polarizability
27.927767
Polar Surface Area
34.89
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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