Chem 4 2 Bromoethyl 3 Chloro 13 Dihydro 2h Indole 2 One

Compound 22
  CheckMol                        TMF02:r0:m0
MF=C10H9BrClNO MW=274.54
 14 15  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3043   -0.7403   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6086    0.0235   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9130   -0.7168   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2173    0.0470   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9247   -2.1974   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5216   -0.6933   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.5345    1.5158   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2290   -2.9377   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.6379    0.3173   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5333   -2.1739   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.5475    2.6321   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.0269    1.6803   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7907    2.9847   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  2  0  0
  5  8  1  0  1  0  0
  6  9 02  0  1  0  0
  7 10  1  0  1  0  0
  7 11 02  0  1  0  0
  8 12  1  0  0  0  0
  8 13  1  0  1  0  0
 13 14  2  0  0  0  0
  9 11 01  0  1  0  0
 10 13  1  0  1  0  0
M  END

4-(2-Bromoethyl)-3-Chloro-1,3-Dihydro-2H-Indole-2-

₹ 0.00 0.00

Chemical Name - 4-(2-Bromoethyl)-3-Chloro-1,3-Dihydro-2H-Indole-2-One
Mol Weight - 274.544
Smiles - O=C1Nc2cccc(CCBr)c2C1Cl

Property Name	Property Value
Mol Name	4-(2-Bromoethyl)-3-Chloro-1,3-Dihydro-2H-Indole-2-One
Molweight	274.544
Monoisotopic Mass	272.955602
Clogp	2.8206
Clogs	-3.445
H Acceptors	2
H Donors	1
Total Surface Area	163.04
Relative Psa	0.15027
Polar Surface Area	29.1
Druglikeness	-8.2238
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.29083
Molecular Complexity	0.78472
Fragments	1
Non H Atoms	14
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Amides	1
Smiles	O=C1Nc2cccc(CCBr)c2C1Cl
InChIKey	InChI=1S/C10H9BrClNO/c11-5-4-6-2-1-3-7-8(6)9(12)10(14)13-7/h1-3,9H,4-5H2,(H,13,14)
InChI	FUHGGNYHOLHJRR-UHFFFAOYSA-N

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1 - 4-(2-Bromoethyl)-3-Chloro-1,3-Dihydro-2H-Indole-2-One
2 - 4-(2-Bromoethyl)-3-Chloro-1,3-Dihydro-2H-Indole-2-One

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4-(2-Bromoethyl)-3-Chloro-1,3-Dihydro-2H-Indole-2-