Molecule

ID:84503

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃Cl₂N₃O₂
Molecular Mass
338.18862
Exact Mass
337.03848203
Charge
0
InChI
InChI=1S/C15H13Cl2N3O2/c1-18-15(21)22-12-4-2-10(3-5-12)8-19-9-11-6-13(16)20-14(17)7-11/h2-8H,9H2,1H3,(H,18,21)
InChIKey
ITGBBPRFNWGEJN-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)Oc1ccc(cc1)/C=N/Cc1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)C/N=C/c1ccc(cc1)OC(=O)NC)Cl
Calculated Properties
JChem
Acid pKa
14.771977
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5008783
LogD (pH = 7.4)
3.5737095
Log P
3.5747216
Molar Refractivity
88.4895
Polarizability
32.905975
Polar Surface Area
63.58
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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