Molecule

ID:9894

General Information
Structure
MolImage
Molecular Formula
C₁₀Cl₂F₅NO₂
Molecular Mass
332.010516
Exact Mass
330.92262471
Charge
0
InChI
InChI=1S/C10Cl2F5NO2/c11-1-2(12)10(20)18(9(1)19)8-6(16)4(14)3(13)5(15)7(8)17
InChIKey
QQUWZXNLBVBCLD-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=C(C(=O)N1c1c(F)c(F)c(c(c1F)F)F)Cl)Cl
Isomeric Smiles
c1(c(c(c(c(c1N1C(=O)C(=C(C1=O)Cl)Cl)F)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.737146
LogD (pH = 7.4)
2.737146
Log P
2.737146
Molar Refractivity
58.6903
Polarizability
21.279312
Polar Surface Area
37.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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