Molecule

ID:85657

General Information
Structure
Molecular Formula
C₁₅H₁₁NO
Molecular Mass
221.25394
Exact Mass
221.08406398
Charge
0
InChI
InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H
InChIKey
CNRNYORZJGVOSY-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ncc(o1)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)oc(c1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5071285
LogD (pH = 7.4)
3.507134
Log P
3.507134
Molar Refractivity
76.8827
Polarizability
27.664715
Polar Surface Area
26.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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