Molecule

ID:28775

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-2-14-7-9-16(10-8-14)20-12-11-19-13-15-5-3-4-6-17(15)18/h3-10,19H,2,11-13H2,1H3
InChIKey
CIOHBDSMNXHDNM-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OCCNCc1ccccc1Cl
Isomeric Smiles
c1(c(Cl)cccc1)CNCCOc1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9351252
LogD (pH = 7.4)
3.6093624
Log P
4.737679
Molar Refractivity
84.3052
Polarizability
33.12886
Polar Surface Area
21.26
Rotatable Bonds
7
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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