Molecule

ID:93706

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄Cl₂F₃N₃
Molecular Mass
364.1929696
Exact Mass
363.05168748
Charge
0
InChI
InChI=1S/C15H14Cl2F3N3/c16-9-6-10-12(23-4-1-2-21-3-5-23)8-13(15(18,19)20)22-14(10)11(17)7-9/h6-8,21H,1-5H2
InChIKey
KDQNDTPSWCXBQQ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1)c(cc(n2)C(F)(F)F)N1CCNCCC1
Isomeric Smiles
N1(c2cc(nc3c(cc(cc23)Cl)Cl)C(F)(F)F)CCCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0460293
LogD (pH = 7.4)
2.0470498
Log P
4.234764
Molar Refractivity
85.24
Polarizability
32.931973
Polar Surface Area
28.16
Rotatable Bonds
2
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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