Molecule

ID:100331

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₂F₂N₂O
Molecular Mass
245.0540264
Exact Mass
243.99817469
Charge
0
InChI
InChI=1S/C7H7ClF2N2O.ClH/c8-7(9,10)13-6-3-1-5(12-11)2-4-6;/h1-4,12H,11H2;1H
InChIKey
MERMNAPUZPBHAU-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)OC(Cl)(F)F.Cl
Isomeric Smiles
O(c1ccc(cc1)NN)C(Cl)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.8740864
LogD (pH = 7.4)
3.0802114
Log P
3.0835893
Molar Refractivity
38.835
Polarizability
16.940794
Polar Surface Area
47.28
Rotatable Bonds
3
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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