Molecule
ID:52944
General Information
Molecular Formula
C₈H₇Cl₂FO
Molecular Mass
209.0449832
Exact Mass
207.98579842
Charge
0
InChI
InChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m0/s1
InChIKey
JAOYKRSASYNDGH-BYPYZUCNSA-N
Canonic Smiles
C[C@@H](c1c(Cl)ccc(c1Cl)F)O
Isomeric Smiles
c1cc(c(c(c1Cl)[C@H](C)O)Cl)F
Calculated Properties
JChem
Acid pKa
14.2173605
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9732623
LogD (pH = 7.4)
2.9732623
Log P
2.9732623
Molar Refractivity
47.1187
Polarizability
18.207401
Polar Surface Area
20.23
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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