Molecule

ID:29219

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-12-5-4-6-16(9-12)20-14(3)11-19-17-10-15(18)8-7-13(17)2/h4-10,14,19H,11H2,1-3H3
InChIKey
HIWLZRQDEFAUJM-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cccc(c1)C)CNc1cc(Cl)ccc1C
Isomeric Smiles
c1(NCC(Oc2cc(ccc2)C)C)cc(ccc1C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1323156
LogD (pH = 7.4)
5.13747
Log P
5.137536
Molar Refractivity
86.11
Polarizability
32.655937
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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