Molecule

ID:95633

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClF₂NO
Molecular Mass
261.6954664
Exact Mass
261.07319819
Charge
0
InChI
InChI=1S/C12H14ClF2NO/c13-7-3-1-2-4-12(17)16-11-6-5-9(14)8-10(11)15/h5-6,8H,1-4,7H2,(H,16,17)
InChIKey
SNIYTLAVFUXTBF-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCC(=O)Nc1ccc(cc1F)F
Isomeric Smiles
N(c1ccc(cc1F)F)C(=O)CCCCCCl
Calculated Properties
JChem
Acid pKa
12.093895
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.448515
LogD (pH = 7.4)
3.4485068
Log P
3.4485152
Molar Refractivity
64.7634
Polarizability
23.859013
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
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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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