Molecule

ID:95370

General Information
Structure
Molecular Formula
C₁₄H₇Cl₃F₂N₂O₂
Molecular Mass
379.5733864
Exact Mass
377.95411695
Charge
0
InChI
InChI=1S/C14H7Cl3F2N2O2/c15-12(13(16)17)14(22)21-8-2-4-11(20-6-8)23-10-3-1-7(18)5-9(10)19/h1-6H,(H,21,22)
InChIKey
JFQBAJISQZXWLB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)Oc1ccc(cn1)NC(=O)C(=C(Cl)Cl)Cl
Isomeric Smiles
N(c1cnc(cc1)Oc1ccc(cc1F)F)C(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.917404
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2729936
LogD (pH = 7.4)
4.2729936
Log P
4.273006
Molar Refractivity
95.5898
Polarizability
31.485638
Polar Surface Area
51.22
Rotatable Bonds
4
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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