Molecule

ID:29098

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-12-5-4-6-17(14(12)3)19-9-10-20-15-7-8-16(18)13(2)11-15/h4-8,11,19H,9-10H2,1-3H3
InChIKey
LJRPSSAKHYYGHW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCCNc2cccc(c2C)C)ccc1Cl
Isomeric Smiles
c1(c(NCCOc2cc(c(cc2)Cl)C)cccc1C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.2131863
LogD (pH = 7.4)
5.234109
Log P
5.2343826
Molar Refractivity
86.7324
Polarizability
32.57435
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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