Molecule

ID:29633

General Information
Structure
Molecular Formula
C₂₃H₃₁NO₂
Molecular Mass
353.49774
Exact Mass
353.23547924
Charge
0
InChI
InChI=1S/C23H31NO2/c1-25-22-11-7-20(8-12-22)15-17-24-21-9-13-23(14-10-21)26-18-16-19-5-3-2-4-6-19/h7-14,19,24H,2-6,15-18H2,1H3
InChIKey
RAJWPDPCPAUCGI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CCNc1ccc(cc1)OCCC1CCCCC1
Isomeric Smiles
N(c1ccc(cc1)OCCC1CCCCC1)CCc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.0893655
LogD (pH = 7.4)
5.6115384
Log P
5.624714
Molar Refractivity
108.9688
Polarizability
41.893234
Polar Surface Area
30.49
Rotatable Bonds
9
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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