Molecule

ID:96046

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄ClF₈NO
Molecular Mass
341.5850856
Exact Mass
340.98536719
Charge
0
InChI
InChI=1S/C10H4ClF8NO/c11-8(12,13)7(21)20-6-2-4(9(14,15)16)1-5(3-6)10(17,18)19/h1-3H,(H,20,21)
InChIKey
IOMAUYSKSRIARY-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)(F)F)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C(F)(F)Cl
Calculated Properties
JChem
Acid pKa
10.925874
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.305667
LogD (pH = 7.4)
4.3055453
Log P
4.3056684
Molar Refractivity
58.7134
Polarizability
20.148336
Polar Surface Area
29.1
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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