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Chem Halquinol | Cheminformatics

Halquinol


  • SKU Code: CH137226
Chemical Name - Halquinol
Mol Weight - 214.051
Smiles - Oc(c1ncccc11)ccc1Cl.Oc(c1ncccc1cc1)c1Cl.Oc(c1ncccc1c(Cl)c1)c1Cl
Property Name Property Value
Mol NameHalquinol
Molweight214.051
Monoisotopic Mass212.974818
Clogp2.8419
Clogs-3.498
H Acceptors2
H Donors1
Total Surface Area143.81
Relative Psa0.16737
Polar Surface Area33.12
Druglikeness-1.709
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Shape Index0.53846
Molecular Complexity0.74499
Fragments3
Non H Atoms13
Non Ch Atoms4
Electronegative Atoms4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms10
Sp3 Atoms1
Aromatic Nitrogens1
SmilesOc(c1ncccc11)ccc1Cl.Oc(c1ncccc1cc1)c1Cl.Oc(c1ncccc1c(Cl)c1)c1Cl
InChIKeyInChI=1S/C9H5Cl2NO.2C9H6ClNO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;10-7-3-4-8(12)9-6(7)2-1-5-11-9;10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-4,13H;2*1-5,12H
InChIXCQBENAYFZFNAR-UHFFFAOYSA-N

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