Molecule

ID:11613

General Information
Structure
Molecular Formula
C₂₀H₂₁NO₂
Molecular Mass
307.38624
Exact Mass
307.15722892
Charge
0
InChI
InChI=1S/C20H21NO2/c1-22-18-11-9-16(10-12-18)14-20(17-6-3-2-4-7-17)21-15-19-8-5-13-23-19/h2-13,20-21H,14-15H2,1H3
InChIKey
CVAZQOJFGUFCAC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC(c1ccccc1)NCc1ccco1
Isomeric Smiles
c1c(ccc(c1)CC(NCc1occc1)c1ccccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7168459
LogD (pH = 7.4)
3.4508944
Log P
4.2315445
Molar Refractivity
91.8105
Polarizability
35.89226
Polar Surface Area
34.4
Rotatable Bonds
7
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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