Molecule

ID:95639

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈Cl₂FNO
Molecular Mass
306.2032232
Exact Mass
305.07494778
Charge
0
InChI
InChI=1S/C14H18Cl2FNO/c15-9-3-1-2-7-14(19)18-10-8-11-12(16)5-4-6-13(11)17/h4-6H,1-3,7-10H2,(H,18,19)
InChIKey
GLOCGAHHQWNFMO-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCC(=O)NCCc1c(F)cccc1Cl
Isomeric Smiles
O=C(NCCc1c(cccc1Cl)F)CCCCCCl
Calculated Properties
JChem
Acid pKa
13.807113
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.905423
LogD (pH = 7.4)
3.9054236
Log P
3.9054236
Molar Refractivity
77.161
Polarizability
29.68932
Polar Surface Area
29.1
Rotatable Bonds
8
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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