Molecule

ID:96148

General Information
Structure
Molecular Formula
C₁₅H₇Cl₂F₃N₂O
Molecular Mass
359.1300896
Exact Mass
357.98875287
Charge
0
InChI
InChI=1S/C15H7Cl2F3N2O/c16-9-3-1-2-8(4-9)12-7-22-14(23-12)10-6-21-13(17)5-11(10)15(18,19)20/h1-7H
InChIKey
XHAYAKQCUJFLPA-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)C(F)(F)F)c1ncc(o1)c1cccc(c1)Cl
Isomeric Smiles
n1c(c2c(cc(nc2)Cl)C(F)(F)F)oc(c1)c1cccc(c1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.595574
LogD (pH = 7.4)
4.5955763
Log P
4.5955763
Molar Refractivity
91.3704
Polarizability
31.55675
Polar Surface Area
38.92
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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