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Compound 62
  CheckMol                        TMF02:r0:m0
MF=C16H21N3O2 MW=287.36
 21 23  0  4  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0144   -1.0969   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7195   -2.5477   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5123   -0.9318   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0287   -3.2790   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374   -2.2882   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6118   -2.5831   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6261   -1.4626   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.1779   -0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.1005   -1.7574   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.1923    1.0969   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.1149   -0.6369   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.6667    0.8020   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.0508    2.5949   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.4215    2.1113   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -7.4308    3.2200   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7651    3.3497   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795    2.6067   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1938    3.3615   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082    2.6185   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2056    4.8713   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6  1  0  1  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9 02  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
 10 12 02  0  1  0  0
 11 13 02  0  2  0  0
 11 14 01  0  1  0  0
 13 15 01  0  1  0  0
 14 16 02  0  1  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  6  1  0  1  0  0
 12 13 01  0  1  0  0
 15 16 01  0  1  0  0
M  END

Zolmitriptan

₹ 0.00 0.00

Chemical Name - Zolmitriptan
Mol Weight - 287.362
Smiles - CN(C)CCc1c[nH]c2c1cc(C[C@H](CO1)NC1=O)cc2

Property Name	Property Value
Mol Name	Zolmitriptan
Molweight	287.362
Monoisotopic Mass	287.163377
Clogp	1.453
Clogs	-2.576
H Acceptors	5
H Donors	2
Total Surface Area	225.5
Relative Psa	0.23078
Polar Surface Area	57.36
Druglikeness	-9.4239
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61905
Molecular Flexibility	0.42556
Molecular Complexity	0.77933
Fragments	1
Non H Atoms	21
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	1
Rotatable Bonds	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	9
Symmetric Atoms	1
Amides	1
Amines	1
Alkyl Amines	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	CN(C)CCc1c[nH]c2c1cc(C[C@H](CO1)NC1=O)cc2
InChIKey	InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
InChI	ULSDMUVEXKOYBU-ZDUSSCGKSA-N

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Zolmitriptan