Molecule
ID:27317
General Information
Molecular Formula
C₁₂H₁₀Cl₂N₂O₃
Molecular Mass
301.1254
Exact Mass
300.00684755
Charge
0
InChI
InChI=1S/C12H10Cl2N2O3/c13-7-1-3-9(14)11(5-7)18-6-8-2-4-10(19-8)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKey
KJJINCUVXVILAA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(o1)COc1cc(Cl)ccc1Cl
Isomeric Smiles
c1(C(=O)NN)oc(cc1)COc1cc(ccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
11.89641
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2820678
LogD (pH = 7.4)
2.282531
Log P
2.2825494
Molar Refractivity
72.5743
Polarizability
27.470247
Polar Surface Area
77.49
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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