Molecule

ID:79234

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₈Cl₂N₂O₄
Molecular Mass
445.29532
Exact Mass
444.06436243
Charge
0
InChI
InChI=1S/C22H18Cl2N2O4/c1-22(2,3)15-11-13(20(27)29-16-6-4-8-25-18(16)23)10-14(12-15)21(28)30-17-7-5-9-26-19(17)24/h4-12H,1-3H3
InChIKey
QJXIPJNUEQEJTN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(cc(c1)C(C)(C)C)C(=O)Oc1cccnc1Cl)Oc1cccnc1Cl
Isomeric Smiles
O(c1cccnc1Cl)C(=O)c1cc(cc(c1)C(=O)Oc1cccnc1Cl)C(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
6.0542674
LogD (pH = 7.4)
6.0542717
Log P
6.0542717
Molar Refractivity
115.7481
Polarizability
44.085335
Polar Surface Area
78.38
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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