Molecule

ID:81514

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₃N₃O₂
Molecular Mass
346.5964
Exact Mass
344.98385962
Charge
0
InChI
InChI=1S/C13H10Cl3N3O2/c1-7-8(12(16)19(2)18-7)6-17-21-13(20)11-9(14)4-3-5-10(11)15/h3-6H,1-2H3
InChIKey
XARXAUSPFFHDSR-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1/C=N/OC(=O)c1c(Cl)cccc1Cl)Cl)C
Isomeric Smiles
n1(c(c(c(n1)C)/C=N/OC(=O)c1c(cccc1Cl)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.978519
LogD (pH = 7.4)
3.9786685
Log P
3.9786704
Molar Refractivity
94.1961
Polarizability
31.262972
Polar Surface Area
56.48
Rotatable Bonds
4
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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