Molecule

ID:86759

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂N₃O₃
Molecular Mass
340.16144
Exact Mass
339.01774659
Charge
0
InChI
InChI=1S/C14H11Cl2N3O3/c1-21-10-4-2-8(3-5-10)13(17)19-22-14(20)11-6-9(15)7-18-12(11)16/h2-7H,1H3,(H2,17,19)
InChIKey
PLQWJPIMRPCHOE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C(=N/OC(=O)c1cc(Cl)cnc1Cl)/N
Isomeric Smiles
N(=C(\c1ccc(cc1)OC)/N)/OC(=O)c1c(ncc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.1190653
LogD (pH = 7.4)
3.140246
Log P
3.1405227
Molar Refractivity
83.8794
Polarizability
31.766747
Polar Surface Area
86.8
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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