Molecule

ID:8656

General Information
Structure
Molecular Formula
C₁₀H₆ClF₃N₂O
Molecular Mass
262.6156496
Exact Mass
262.01207516
Charge
0
InChI
InChI=1S/C10H6ClF3N2O/c11-5-8-15-9(17-16-8)6-2-1-3-7(4-6)10(12,13)14/h1-4H,5H2
InChIKey
INANILNLXTUPHD-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(n1)c1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(nc(on1)c1cc(ccc1)C(F)(F)F)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8124835
LogD (pH = 7.4)
3.8124835
Log P
3.8124835
Molar Refractivity
67.127
Polarizability
20.705458
Polar Surface Area
38.92
Rotatable Bonds
3
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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