Molecule

ID:125920

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₆ClNO
Molecular Mass
365.98034
Exact Mass
365.24854246
Charge
0
InChI
InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)
InChIKey
SCJNCDSAIRBRIA-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCCl
Isomeric Smiles
ClCCNC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC
Calculated Properties
JChem
Acid pKa
14.996904
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.6683936
LogD (pH = 7.4)
6.668394
Log P
6.668394
Molar Refractivity
116.0162
Polarizability
43.32837
Polar Surface Area
29.1
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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