Molecule

ID:95644

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂FNO
Molecular Mass
278.1500632
Exact Mass
277.04364765
Charge
0
InChI
InChI=1S/C12H14Cl2FNO/c13-7-3-1-2-4-12(17)16-9-5-6-11(15)10(14)8-9/h5-6,8H,1-4,7H2,(H,16,17)
InChIKey
UZJAGUROQHZJPW-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCC(=O)Nc1ccc(c(c1)Cl)F
Isomeric Smiles
N(c1ccc(c(c1)Cl)F)C(=O)CCCCCCl
Calculated Properties
JChem
Acid pKa
14.134927
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.909858
LogD (pH = 7.4)
3.9098577
Log P
3.909858
Molar Refractivity
69.3518
Polarizability
26.051012
Polar Surface Area
29.1
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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