Molecule

ID:94483

General Information
Structure
MolImage
Molecular Formula
C₃H₆ClFO
Molecular Mass
112.5305432
Exact Mass
112.00912071
Charge
0
InChI
InChI=1S/C3H6ClFO/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey
ZNKJYZHZWALQNX-UHFFFAOYSA-N
Canonic Smiles
FCC(CCl)O
Isomeric Smiles
OC(CCl)CF
Calculated Properties
JChem
Acid pKa
13.299478
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.4066696
LogD (pH = 7.4)
0.40666905
Log P
0.40666962
Molar Refractivity
21.875
Polarizability
8.640806
Polar Surface Area
20.23
Rotatable Bonds
2
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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