Molecule

ID:67673

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂N₄O₂
Molecular Mass
349.1715
Exact Mass
348.01808094
Charge
0
InChI
InChI=1S/C15H10Cl2N4O2/c1-22-9-5-2-3-6-10(9)23-11-12(16)20-15(21-13(11)17)14-18-7-4-8-19-14/h2-8H,1H3
InChIKey
IZGOBGVYADHVKH-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1Oc1c(Cl)nc(nc1Cl)c1ncccn1
Isomeric Smiles
c1(nc(c(c(n1)Cl)Oc1c(cccc1)OC)Cl)c1ncccn1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.1455007
LogD (pH = 7.4)
4.1455007
Log P
4.1455007
Molar Refractivity
109.5088
Polarizability
33.226562
Polar Surface Area
70.02
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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