Molecule

ID:28837

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO₂
Molecular Mass
319.82578
Exact Mass
319.13390663
Charge
0
InChI
InChI=1S/C18H22ClNO2/c1-4-21-16-7-5-15(6-8-16)20-9-10-22-17-11-13(2)18(19)14(3)12-17/h5-8,11-12,20H,4,9-10H2,1-3H3
InChIKey
RVSZVIUTGFZUQI-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NCCOc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
c1(c(cc(cc1C)OCCNc1ccc(cc1)OCC)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.749719
LogD (pH = 7.4)
4.9174757
Log P
4.920098
Molar Refractivity
92.903
Polarizability
35.16341
Polar Surface Area
30.49
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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