Molecule

ID:91054

General Information
Structure
Molecular Formula
C₁₇H₃₂Cl₂O₂
Molecular Mass
339.34078
Exact Mass
338.17793562
Charge
0
InChI
InChI=1S/C17H32Cl2O2/c18-15-16(19)13-11-9-7-5-3-1-2-4-6-8-10-12-14-17(20)21/h16H,1-15H2,(H,20,21)
InChIKey
ITMRXTONPIMQLR-UHFFFAOYSA-N
Canonic Smiles
ClCC(CCCCCCCCCCCCCCC(=O)O)Cl
Isomeric Smiles
ClC(CCl)CCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.2429476
LogD (pH = 7.4)
4.4838123
Log P
6.898753
Molar Refractivity
91.0768
Polarizability
36.202366
Polar Surface Area
37.3
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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