Molecule

ID:29432

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-13(2)16-5-3-4-6-17(16)19-11-12-20-15-9-7-14(18)8-10-15/h3-10,13,19H,11-12H2,1-2H3
InChIKey
ZTDMKDOWZXBKOU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCCNc1ccccc1C(C)C
Isomeric Smiles
c1(c(NCCOc2ccc(Cl)cc2)cccc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.927395
LogD (pH = 7.4)
4.9389777
Log P
4.9391274
Molar Refractivity
85.7996
Polarizability
32.729614
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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