Molecule

ID:96135

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₃F₃N₂O
Molecular Mass
383.5803296
Exact Mass
381.96543059
Charge
0
InChI
InChI=1S/C14H8Cl3F3N2O/c15-9-3-1-2-7(11(9)16)6-22-13(23)10-8(14(18,19)20)4-5-21-12(10)17/h1-5H,6H2,(H,22,23)
InChIKey
YTFHGYQQJXYMCV-UHFFFAOYSA-N
Canonic Smiles
Clc1c(cccc1Cl)CNC(=O)c1c(Cl)nccc1C(F)(F)F
Isomeric Smiles
N(C(=O)c1c(ccnc1Cl)C(F)(F)F)Cc1cccc(c1Cl)Cl
Calculated Properties
JChem
Acid pKa
11.811497
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.4645214
LogD (pH = 7.4)
4.4645076
Log P
4.4645224
Molar Refractivity
83.9382
Polarizability
30.840832
Polar Surface Area
41.99
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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