Molecule
ID:79162
General Information
Molecular Formula
C₁₄H₈Cl₄N₂O₂
Molecular Mass
378.03752
Exact Mass
375.93398823
Charge
0
InChI
InChI=1S/C14H8Cl4N2O2/c15-8-1-4-10(5-2-8)22-11-6-3-9(7-19-11)20-14(21)12(16)13(17)18/h1-7H,(H,20,21)
InChIKey
CYDUVRGLSQBYQQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1ccc(cn1)NC(=O)C(=C(Cl)Cl)Cl
Isomeric Smiles
N(c1ccc(nc1)Oc1ccc(cc1)Cl)C(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.926044
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.591632
LogD (pH = 7.4)
4.5916343
Log P
4.5916467
Molar Refractivity
99.9618
Polarizability
33.818947
Polar Surface Area
51.22
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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