Responsive image

Common name

1,2,4,5-tetrachloro-3-nitrobenzene

IUPAC name

1,2,4,5-tetrachloro-3-nitrobenzene

SMILES

c1c(c(c(c(c1Cl)Cl)N(=O)=O)Cl)Cl

Common name

1,2,4,5-tetrachloro-3-nitrobenzene

IUPAC name

1,2,4,5-tetrachloro-3-nitrobenzene

SMILES

c1c(c(c(c(c1Cl)Cl)N(=O)=O)Cl)Cl

INCHI

InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H

FORMULA

C6HCl4NO2

Responsive image

Common name

1,2,4,5-tetrachloro-3-nitrobenzene

IUPAC name

1,2,4,5-tetrachloro-3-nitrobenzene





Molecular weight

260.890

clogP

2.737

clogS

-4.573

Frequency

0.0003





HBond Acceptor

3

HBond Donor

0

Total Polar
Surface Area

34.14

Number of Rings

1

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD03001 tecnazene Responsive image Fungicide Fungicide
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4btl_ligand_frag_0.mol2 4btl 0.852941 -6.72 Clc1cc(ccc1)N(=O)=O 10
4dld_ligand_frag_0.mol2 4dld 0.794118 -6.74 c1c(c(ccc1)N(=O)=O)Cl 10
3ipb_ligand_1_14.mol2 3ipb 0.676471 -6.97 Nc1cc(Cl)cc(c1)Cl 9
3ipe_ligand_1_1.mol2 3ipe 0.676471 -6.93 Clc1cc(cc(Cl)c1)N 9
3ipe_ligand_1_2.mol2 3ipe 0.676471 -6.93 Clc1cc(Cl)cc(c1)N 9
4g95_ligand_1_2.mol2 4g95 0.676471 -6.47 Nc1c(Cl)ccc(c1)Cl 9
183 , 19