Molecule

ID:28786

General Information
Structure
Molecular Formula
C₁₇H₁₆Cl₂F₃NO
Molecular Mass
378.2162496
Exact Mass
377.05610416
Charge
0
InChI
InChI=1S/C17H16Cl2F3NO/c18-13-6-7-16(15(19)11-13)24-9-2-1-8-23-14-5-3-4-12(10-14)17(20,21)22/h3-7,10-11,23H,1-2,8-9H2
InChIKey
OABCIRIHVUYRTK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OCCCCNc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(NCCCCOc2c(cc(cc2)Cl)Cl)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.703304
LogD (pH = 7.4)
5.7526665
Log P
5.7533336
Molar Refractivity
91.8973
Polarizability
33.983032
Polar Surface Area
21.26
Rotatable Bonds
8
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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