Molecule
ID:97276
General Information
Molecular Formula
C₁₀H₄ClFO₃
Molecular Mass
226.5883632
Exact Mass
225.98329989
Charge
0
InChI
InChI=1S/C10H4ClFO3/c11-9-6-3-5(12)1-2-8(6)15-10(14)7(9)4-13/h1-4H
InChIKey
RHGRRJGYSAYGDK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(=O)oc2c(c1Cl)cc(cc2)F
Isomeric Smiles
o1c2ccc(cc2c(c(c1=O)C=O)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5087515
LogD (pH = 7.4)
1.5087515
Log P
1.5087515
Molar Refractivity
51.6301
Polarizability
19.296457
Polar Surface Area
43.37
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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