Molecule

ID:95942

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇Cl₃F₃N₃
Molecular Mass
380.5796896
Exact Mass
378.96576494
Charge
0
InChI
InChI=1S/C14H7Cl3F3N3/c15-9-4-11(14(18,19)20)22-10-2-1-7(3-8(9)10)5-23-6-21-12(16)13(23)17/h1-4,6H,5H2
InChIKey
LHGXHXLWMWGOFB-UHFFFAOYSA-N
Canonic Smiles
Clc1ncn(c1Cl)Cc1ccc2c(c1)c(Cl)cc(n2)C(F)(F)F
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)Cc1cc2c(nc(cc2Cl)C(F)(F)F)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.970094
LogD (pH = 7.4)
4.9715815
Log P
4.9716005
Molar Refractivity
83.5219
Polarizability
32.099255
Polar Surface Area
30.71
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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