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Compound 42
  CheckMol                        TMF02:r0:m0
MF=C15H10ClN3O3 MW=315.72
 22 24  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0840    1.0251   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7423    2.4980   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4980    0.6009   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.6952    2.9457   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263    3.5231   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.5820    1.6260   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.7203    1.8617   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9308    4.4421   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.2403    3.0989   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2285    1.9795   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387    5.1963   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.3535    5.1963   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0887    3.2285   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6409    4.6660   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2505    6.7045   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.3417    6.7045   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.5851    3.0164   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9662    7.4586   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.6260    7.4586   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6143    8.9668   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9104    6.7280   -0.0000 O   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  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8  2  0  1  0  0
  5  9  1  0  1  0  0
  6 10 02  0  1  0  0
  8 11  1  0  1  0  0
  9 12 02  0  2  0  0
  9 13 01  0  1  0  0
 11 14  1  0  1  0  0
 12 15  1  0  1  0  0
 12 16 01  0  1  0  0
 13 17 02  0  1  0  0
 14 18  2  0  0  0  0
 16 19 02  0  1  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  7 10 01  0  1  0  0
 14 15  1  0  1  0  0
 17 19 01  0  1  0  0
M  CHG  1  20   1
M  CHG  1  22  -1
M  END

Clonazepam

₹ 0.00 0.00

Chemical Name - Clonazepam
Mol Weight - 315.715
Smiles - [O-][N+](c(cc1)cc(C(c(cccc2)c2Cl)=NC2)c1NC2=O)=O

Property Name	Property Value
Mol Name	Clonazepam
Molweight	315.715
Monoisotopic Mass	315.041069
Clogp	1.7047
Clogs	-5.156
H Acceptors	6
H Donors	1
Total Surface Area	224.55
Relative Psa	0.29584
Polar Surface Area	87.28
Druglikeness	-2.3195
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.45455
Molecular Flexibility	0.32315
Molecular Complexity	0.86458
Fragments	1
Non H Atoms	22
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Amides	1
Acidic Oxygens	1
Smiles	[O-][N+](c(cc1)cc(C(c(cccc2)c2Cl)=NC2)c1NC2=O)=O
InChIKey
InChI	C15H10N3O3Cl

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Clonazepam