Molecule

ID:46653

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClNO
Molecular Mass
331.87954
Exact Mass
331.17029214
Charge
0
InChI
InChI=1S/C20H25NO.ClH/c1-20(2,17-6-4-3-5-7-17)18-8-10-19(11-9-18)22-15-16-12-13-21-14-16;/h3-11,16,21H,12-15H2,1-2H3;1H
InChIKey
BLMHIVMWHWMQAM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)(c1ccc(cc1)OCC1CCNC1)C.Cl
Isomeric Smiles
C(c1ccc(OCC2CNCC2)cc1)(c1ccccc1)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9562087
LogD (pH = 7.4)
1.1148186
Log P
4.1957817
Molar Refractivity
102.0511
Polarizability
36.112732
Polar Surface Area
21.26
Rotatable Bonds
5
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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