Molecule

ID:95659

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₁Cl₅F₂N₂O₂
Molecular Mass
490.5432464
Exact Mass
487.92312244
Charge
0
InChI
InChI=1S/C17H11Cl5F2N2O2/c18-11-3-1-5-13(23)9(11)7-26(28-17(27)25-16(22)15(20)21)8-10-12(19)4-2-6-14(10)24/h1-6H,7-8H2,(H,25,27)
InChIKey
VPNKHVSMXDYLKC-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=C(Cl)Cl)Cl)ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl
Isomeric Smiles
N(C(=C(Cl)Cl)Cl)C(=O)ON(Cc1c(cccc1Cl)F)Cc1c(cccc1Cl)F
Calculated Properties
JChem
Acid pKa
10.865514
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.471149
LogD (pH = 7.4)
6.471019
Log P
6.471151
Molar Refractivity
127.3925
Polarizability
41.352257
Polar Surface Area
41.57
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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