Molecule

ID:129010

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClNO
Molecular Mass
295.84744
Exact Mass
295.17029214
Charge
0
InChI
InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
InChIKey
NNACHAUCXXVJSP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CCCOCCCN1CCCCC1
Isomeric Smiles
Clc1ccc(cc1)CCCOCCCN1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.69885886
LogD (pH = 7.4)
1.8710146
Log P
4.1152673
Molar Refractivity
86.8124
Polarizability
33.85931
Polar Surface Area
12.47
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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