Molecule

ID:29327

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-3-14(20-15-10-8-13(2)9-11-15)12-19-17-7-5-4-6-16(17)18/h4-11,14,19H,3,12H2,1-2H3
InChIKey
OWTKIRGMOFBEBZ-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)C)CNc1ccccc1Cl
Isomeric Smiles
N(c1c(Cl)cccc1)CC(Oc1ccc(cc1)C)CC
Calculated Properties
JChem
Acid pKa
18.006031
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1451545
LogD (pH = 7.4)
5.1466184
Log P
5.146637
Molar Refractivity
85.5928
Polarizability
32.739883
Polar Surface Area
21.26
Rotatable Bonds
6
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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