Molecule

ID:29225

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-12(2)20-17-7-5-4-6-14(17)11-19-16-10-15(18)9-8-13(16)3/h4-10,12,19H,11H2,1-3H3
InChIKey
DSSSYGVARGXKJD-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1CNc1cc(Cl)ccc1C)C
Isomeric Smiles
c1(NCc2c(OC(C)C)cccc2)cc(ccc1C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.901337
LogD (pH = 7.4)
4.9036455
Log P
4.9036746
Molar Refractivity
86.341
Polarizability
32.729393
Polar Surface Area
21.26
Rotatable Bonds
5
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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