Molecule

ID:28774

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-13-7-8-14(2)17(11-13)20-10-9-19-12-15-5-3-4-6-16(15)18/h3-8,11,19H,9-10,12H2,1-2H3
InChIKey
ILPNVCUZQOLYNW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCCNCc1ccccc1Cl)C
Isomeric Smiles
c1(c(ccc(c1)C)C)OCCNCc1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.00242
LogD (pH = 7.4)
3.6759605
Log P
4.806532
Molar Refractivity
84.7454
Polarizability
33.052143
Polar Surface Area
21.26
Rotatable Bonds
6
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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