Molecule

ID:41859

General Information
Structure
MolImage
Molecular Formula
C₁₅H₇Cl₂FN₂
Molecular Mass
305.1338832
Exact Mass
303.99703181
Charge
0
InChI
InChI=1S/C15H7Cl2FN2/c16-9-4-5-11(14(17)6-9)12(7-19)10-2-1-3-15(18)13(10)8-20/h1-6,12H
InChIKey
LXFAWDNBDVARHZ-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1cccc(c1C#N)F)c1ccc(cc1Cl)Cl
Isomeric Smiles
c1(c(C(c2c(cc(cc2)Cl)Cl)C#N)cccc1F)C#N
Calculated Properties
JChem
Acid pKa
9.473881
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5525746
LogD (pH = 7.4)
4.548976
Log P
4.552621
Molar Refractivity
76.562
Polarizability
28.72982
Polar Surface Area
47.58
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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