Molecule

ID:46676

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClNO
Molecular Mass
331.87954
Exact Mass
331.17029214
Charge
0
InChI
InChI=1S/C20H25NO.ClH/c1-2-5-17(6-3-1)15-18-8-10-20(11-9-18)22-14-12-19-7-4-13-21-16-19;/h1-3,5-6,8-11,19,21H,4,7,12-16H2;1H
InChIKey
ZMCDXUBVRWRKRP-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCOc1ccc(cc1)Cc1ccccc1.Cl
Isomeric Smiles
N1CC(CCOc2ccc(Cc3ccccc3)cc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.221974
LogD (pH = 7.4)
1.5980241
Log P
4.456296
Molar Refractivity
91.8338
Polarizability
36.115967
Polar Surface Area
21.26
Rotatable Bonds
6
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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