Molecule

ID:28888

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₀ClN
Molecular Mass
366.0234
Exact Mass
365.28492797
Charge
0
InChI
InChI=1S/C23H40ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-21-22-17-16-18-23(24)20-22/h16-18,20,25H,2-15,19,21H2,1H3
InChIKey
AGFCXNFJWLGIQK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCc1cccc(c1)Cl
Isomeric Smiles
c1c(Cl)cccc1CNCCCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.5930233
LogD (pH = 7.4)
6.495155
Log P
8.794362
Molar Refractivity
113.1964
Polarizability
45.08205
Polar Surface Area
12.03
Rotatable Bonds
17
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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