Molecule

ID:29333

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H22ClNO/c1-14(2)10-11-21-18-8-6-17(7-9-18)20-13-15-4-3-5-16(19)12-15/h3-9,12,14,20H,10-11,13H2,1-2H3
InChIKey
PQFLDHFZRDKBEU-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccc(cc1)NCc1cccc(c1)Cl)C
Isomeric Smiles
N(c1ccc(cc1)OCCC(C)C)Cc1cc(Cl)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1217623
LogD (pH = 7.4)
5.2262783
Log P
5.2277884
Molar Refractivity
90.5546
Polarizability
34.653793
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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