Chem 6 Bromo 2 Chloro Benzothiazole Ncc

Compound 82
  CheckMol                        TMF02:r0:m0
MF=C7H3BrClNS MW=248.52
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5063    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2595   -1.2709   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2595    1.3180   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7658   -1.2592   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7658    1.3298   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7778   -2.3536   -0.0000 S   0 00  0  0  0  0  0  0  0  0  0  0
   -4.5189    0.0471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.1546   -1.7299   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.9899   -0.2471   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -7.4609   -2.4595   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 01  0  1  0  0
  5  8 02  0  2  0  0
  7  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11  1  0  0  0  0
  6  8 01  0  1  0  0
  9 10 02  0  1  0  0
M  END

6-bromo-2-chloro benzothiazole

₹ 0.00 0.00

Chemical Name - 6-bromo-2-chloro benzothiazole
Mol Weight - 248.531
Smiles - Clc1nc(ccc(Br)c2)c2s1
InChI - IJQSMNIZBBEBKI-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H3BrClNS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H

Property Name	Property Value
Mol Name	6-bromo-2-chloro benzothiazole
Molweight	248.531
Monoisotopic Mass	246.885807
Clogp	3.4927
Clogs	-4.022
H Acceptors	1
Total Surface Area	136.61
Relative Psa	0.22934
Polar Surface Area	41.13
Druglikeness	-2.1955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Complexity	0.72824
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Aromatic Nitrogens	1
Smiles	Clc1nc(ccc(Br)c2)c2s1
InChIKey	InChI=1S/C7H3BrClNS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
InChI	IJQSMNIZBBEBKI-UHFFFAOYSA-N

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6-bromo-2-chloro benzothiazole