Molecule

ID:12367

General Information
Structure
Molecular Formula
C₇H₆ClFO
Molecular Mass
160.5733432
Exact Mass
160.00912071
Charge
0
InChI
InChI=1S/C7H6ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey
JEAFLVNESBTMPU-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(c(c1)F)Cl
Isomeric Smiles
c1c(c(cc(c1)CO)F)Cl
Calculated Properties
JChem
Acid pKa
14.814918
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9526427
LogD (pH = 7.4)
1.9526427
Log P
1.9526427
Molar Refractivity
37.8951
Polarizability
14.421274
Polar Surface Area
20.23
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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