Molecule

ID:29209

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H22ClNO/c1-4-15-7-5-6-13(2)18(15)20-10-11-21-17-9-8-16(19)12-14(17)3/h5-9,12,20H,4,10-11H2,1-3H3
InChIKey
WRNVVPKOJHANRV-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1NCCOc1ccc(cc1C)Cl)C
Isomeric Smiles
c1(c(cccc1CC)C)NCCOc1c(cc(cc1)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.666569
LogD (pH = 7.4)
5.678793
Log P
5.6789513
Molar Refractivity
91.3334
Polarizability
34.418755
Polar Surface Area
21.26
Rotatable Bonds
6
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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