Molecule

ID:51573

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-3-8-16(9-4-1)14-21-18-12-7-13-20-19(18)22-15-17-10-5-2-6-11-17/h1-13H,14-15H2
InChIKey
FKBLXSTVQUPYIR-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)COc1ncccc1OCc1ccccc1
Isomeric Smiles
c1cnc(c(c1)OCc1ccccc1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.4829907
LogD (pH = 7.4)
4.4836264
Log P
4.4836345
Molar Refractivity
86.3662
Polarizability
33.675964
Polar Surface Area
31.35
Rotatable Bonds
6
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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