Molecule

ID:29083

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H22ClNO/c1-12-5-6-14(3)18(9-12)21-15(4)11-20-16-8-7-13(2)17(19)10-16/h5-10,15,20H,11H2,1-4H3
InChIKey
UWNPQAHFGVUHQE-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cc(C)ccc1C)CNc1ccc(c(c1)Cl)C
Isomeric Smiles
c1(OC(CNc2cc(c(cc2)C)Cl)C)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.630467
LogD (pH = 7.4)
5.6506934
Log P
5.6509576
Molar Refractivity
91.1512
Polarizability
34.42443
Polar Surface Area
21.26
Rotatable Bonds
5
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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