Molecule

ID:97601

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂F₅N₂
Molecular Mass
281.010136
Exact Mass
279.95934457
Charge
0
InChI
InChI=1S/C7H3Cl2F5N2/c8-2-4(10)1(7(12,13)14)5(11)3(9)6(2)16-15/h16H,15H2
InChIKey
QLTSRWAPKUSFOY-UHFFFAOYSA-N
Canonic Smiles
NNc1c(Cl)c(F)c(c(c1Cl)F)C(F)(F)F
Isomeric Smiles
Clc1c(c(c(c(c1F)C(F)(F)F)F)Cl)NN
Calculated Properties
JChem
Acid pKa
13.671266
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.6924644
LogD (pH = 7.4)
3.733971
Log P
3.7362301
Molar Refractivity
51.7808
Polarizability
18.057722
Polar Surface Area
38.05
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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