Molecule

ID:86461

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂Cl₂N₂O₃
Molecular Mass
303.14128
Exact Mass
302.02249761
Charge
0
InChI
InChI=1S/C12H12Cl2N2O3/c1-6(15-2)10(12(18)19-3)11(17)7-4-8(13)16-9(14)5-7/h4-5,15H,1-3H3
InChIKey
AJWPKTOIGOKRIA-UHFFFAOYSA-N
Canonic Smiles
CN/C(=C(/C(=O)c1cc(Cl)nc(c1)Cl)\C(=O)OC)/C
Isomeric Smiles
n1c(cc(cc1Cl)C(=O)/C(=C(/NC)\C)/C(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.9616584
LogD (pH = 7.4)
1.9617532
Log P
1.9617544
Molar Refractivity
75.7561
Polarizability
28.040545
Polar Surface Area
68.29
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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