Molecule

ID:20996

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄ClNO
Molecular Mass
293.83156
Exact Mass
293.15464207
Charge
0
InChI
InChI=1S/C17H24ClNO/c18-14-6-7-17(20-15-8-10-19-11-9-15)16(12-14)13-4-2-1-3-5-13/h6-7,12-13,15,19H,1-5,8-11H2
InChIKey
CWZIEDACJJQIBJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C1CCCCC1)OC1CCNCC1
Isomeric Smiles
c1(c(OC2CCNCC2)ccc(c1)Cl)C1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.97096795
LogD (pH = 7.4)
1.8152866
Log P
4.1783667
Molar Refractivity
83.674
Polarizability
33.108566
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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