Molecule

ID:84282

General Information
Structure
Molecular Formula
C₂₂H₁₂Cl₃N₃O₅
Molecular Mass
504.70678
Exact Mass
502.98425354
Charge
0
InChI
InChI=1S/C22H12Cl3N3O5/c1-11-10-16(24)26-18(25)17(11)19(29)28-21(31)20(30)27(22(28)32)13-4-8-15(9-5-13)33-14-6-2-12(23)3-7-14/h2-10H,1H3
InChIKey
QTFYJHXBXPWBSJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1ccc(cc1)N1C(=O)C(=O)N(C1=O)C(=O)c1c(C)cc(nc1Cl)Cl
Isomeric Smiles
N1(C(=O)N(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C1=O)C(=O)c1c(nc(cc1C)Cl)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
5.5692644
LogD (pH = 7.4)
5.5692644
Log P
5.5692644
Molar Refractivity
121.9984
Polarizability
46.05162
Polar Surface Area
96.88
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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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