Molecule

ID:95640

General Information
Structure
Molecular Formula
C₁₂H₁₅ClF₂N₂O
Molecular Mass
276.7101064
Exact Mass
276.08409723
Charge
0
InChI
InChI=1S/C12H15ClF2N2O/c13-6-2-1-3-7-16-12(18)17-11-5-4-9(14)8-10(11)15/h4-5,8H,1-3,6-7H2,(H2,16,17,18)
InChIKey
WXBWLPAZPIFJDK-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCNC(=O)Nc1ccc(cc1F)F
Isomeric Smiles
N(c1c(cc(cc1)F)F)C(=O)NCCCCCCl
Calculated Properties
JChem
Acid pKa
11.6386175
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.0728712
LogD (pH = 7.4)
3.0728476
Log P
3.0728714
Molar Refractivity
68.3815
Polarizability
25.025429
Polar Surface Area
41.13
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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