Molecule

ID:109176

General Information
Structure
MolImage
Molecular Formula
C₂₇H₁₉NO
Molecular Mass
373.44586
Exact Mass
373.14666423
Charge
0
InChI
InChI=1S/C27H19NO/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-28-27(29-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H
InChIKey
DDZJGFHXUOWOSL-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)c1ncc(o1)c1ccc(cc1)c1ccccc1
Isomeric Smiles
o1c(cnc1c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.801579
LogD (pH = 7.4)
6.8015847
Log P
6.8015847
Molar Refractivity
127.1551
Polarizability
49.908016
Polar Surface Area
26.03
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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