Molecule

ID:28782

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H22ClNO/c1-14(2)13-21-17-9-7-15(8-10-17)11-20-12-16-5-3-4-6-18(16)19/h3-10,14,20H,11-13H2,1-2H3
InChIKey
MZMKRMJJYZMUAB-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccc(cc1)CNCc1ccccc1Cl)C
Isomeric Smiles
c1(c(Cl)cccc1)CNCc1ccc(OCC(C)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.29879
LogD (pH = 7.4)
4.019581
Log P
4.9467444
Molar Refractivity
88.9308
Polarizability
35.04929
Polar Surface Area
21.26
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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