Molecule

ID:91032

General Information
Structure
Molecular Formula
C₂₁H₃₂Cl₂O₂
Molecular Mass
387.38358
Exact Mass
386.17793562
Charge
0
InChI
InChI=1S/C21H32Cl2O2/c22-19-16-15-18(17-20(19)23)13-11-9-7-5-3-1-2-4-6-8-10-12-14-21(24)25/h15-17H,1-14H2,(H,24,25)
InChIKey
FYSQGGGVGFUGIY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCCCCCc1ccc(c(c1)Cl)Cl
Isomeric Smiles
Clc1c(cc(cc1)CCCCCCCCCCCCCCC(=O)O)Cl
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.942671
LogD (pH = 7.4)
6.1835356
Log P
8.598476
Molar Refractivity
106.7882
Polarizability
42.14098
Polar Surface Area
37.3
Rotatable Bonds
15
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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