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Compound 48
  CheckMol                        TMF02:r0:m0
MF=C13H6Cl5NO3 MW=401.46
 22 23  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090    0.7665   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.2760   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6180    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6298    3.0425   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0307   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298   -1.4505   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9270    0.7901   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6416    4.5520   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9388    2.3114   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5402   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    2.2996   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2477    3.0779   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5354    3.0543   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8208    2.3232   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5236    4.5638   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8090    0.8373   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1062    3.0779   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8090    5.3303   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3916    2.3467   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0944    4.5873   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7972    6.8397   -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
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8 02  0  1  0  0
  5  9  1  0  0  0  0
  5 10 02  0  1  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15 02  0  1  0  0
 14 16 01  0  1  0  0
 15 17  1  0  0  0  0
 15 18 01  0  1  0  0
 16 19 02  0  1  0  0
 18 20  1  0  0  0  0
 18 21 02  0  1  0  0
 19 22  1  0  0  0  0
  8 10 01  0  1  0  0
 19 21 01  0  1  0  0
M  END

Oxyclozanide

₹ 0.00 0.00

Chemical Name - Oxyclozanide
Mol Weight - 401.46
Smiles - Oc(c(Cl)cc(Cl)c1)c1NC(c(c(O)c(cc1Cl)Cl)c1Cl)=O

Property Name	Property Value
Mol Name	Oxyclozanide
Molweight	401.46
Monoisotopic Mass	398.879029
Clogp	5.1457
Clogs	-6.216
H Acceptors	4
H Donors	3
Total Surface Area	252.03
Relative Psa	0.20117
Polar Surface Area	69.56
Druglikeness	0.81293
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.45455
Molecular Flexibility	0.40126
Molecular Complexity	0.82494
Fragments	1
Non H Atoms	22
Non Ch Atoms	9
Electronegative Atoms	9
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Amides	1
Smiles	Oc(c(Cl)cc(Cl)c1)c1NC(c(c(O)c(cc1Cl)Cl)c1Cl)=O
InChIKey
InChI	C13H6NO3Cl5

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Oxyclozanide