Molecule

ID:20886

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H19NO.ClH/c1-2-5-14(6-3-1)15-8-10-16(11-9-15)19-17-7-4-12-18-13-17;/h1-3,5-6,8-11,17-18H,4,7,12-13H2;1H
InChIKey
UJNYGQNGFUDGBO-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Oc1ccc(cc1)c1ccccc1.Cl
Isomeric Smiles
c1(c2ccccc2)ccc(OC2CNCCC2)cc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3963202
LogD (pH = 7.4)
1.5182586
Log P
3.563961
Molar Refractivity
77.593
Polarizability
32.07794
Polar Surface Area
21.26
Rotatable Bonds
3
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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