Molecule

ID:86453

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃Cl₂N₃O₅
Molecular Mass
386.18682
Exact Mass
385.02322589
Charge
0
InChI
InChI=1S/C15H13Cl2N3O5/c1-3-23-14(21)15(22)25-20-13(18)10-7(2)24-19-12(10)11-8(16)5-4-6-9(11)17/h4-6H,3H2,1-2H3,(H2,18,20)
InChIKey
VZRQULYTVWNADS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)O/N=C(/c1c(C)onc1c1c(Cl)cccc1Cl)\N
Isomeric Smiles
n1c(c2c(cccc2Cl)Cl)c(c(o1)C)/C(=N/OC(=O)C(=O)OCC)/N
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.767658
LogD (pH = 7.4)
3.7676601
Log P
3.7676601
Molar Refractivity
90.5098
Polarizability
35.566242
Polar Surface Area
117.01
Rotatable Bonds
6
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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