Molecule

ID:96572

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₃F₃N₃O
Molecular Mass
388.6001496
Exact Mass
386.99197969
Charge
0
InChI
InChI=1S/C13H11Cl3F3N3O/c14-9(10(15)16)12(23)22-6-4-21(5-7-22)11-8(13(17,18)19)2-1-3-20-11/h1-3H,4-7H2
InChIKey
FYFDFCFKRSVBFW-UHFFFAOYSA-N
Canonic Smiles
ClC(=C(Cl)Cl)C(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Isomeric Smiles
N1(C(=O)C(=C(Cl)Cl)Cl)CCN(c2c(cccn2)C(F)(F)F)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0357137
LogD (pH = 7.4)
3.3045926
Log P
3.309511
Molar Refractivity
94.7768
Polarizability
30.768518
Polar Surface Area
36.44
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
No Data Available
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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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