Chem Hydrochlorothiazide Unilink

Compound 34
  CheckMol                        TMF02:r0:m0
MF=C7H8ClN3O4S2 MW=297.73
 17 18  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3031    0.7631   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3149    2.2658   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6063    0.0352   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0352    3.0289   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6180    3.0289   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9094    0.7866   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7866    4.3321   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7044    1.7493   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    3.7803   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9212    2.3011   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2126    0.0587   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2243    3.0642   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5157    0.8218   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4847    4.3673   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9757    4.3673   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5275    2.3245   -0.0000 N   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  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11 02  0  1  0  0
  7 12  1  0  1  0  0
 11 13  1  0  1  0  0
 12 14  1  0  1  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  1  0  0
  7 11 01  0  2  0  0
 14 17  1  0  1  0  0
M  END

Hydrochlorothiazide

₹ 0.00 0.00

Chemical Name - Hydrochlorothiazide
Mol Weight - 297.743
Smiles - NS(c(cc(c(NCN1)c2)S1(=O)=O)c2Cl)(=O)=O

Property Name	Property Value
Mol Name	Hydrochlorothiazide
Molweight	297.743
Monoisotopic Mass	296.964474
Clogp	-0.3795
Clogs	-2.539
H Acceptors	7
H Donors	3
Total Surface Area	177.54
Relative Psa	0.53706
Polar Surface Area	135.12
Druglikeness	5.6655
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.47059
Molecular Flexibility	0.355
Molecular Complexity	0.81578
Fragments	1
Non H Atoms	17
Non Ch Atoms	10
Electronegative Atoms	10
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Symmetric Atoms	2
Amides	2
Smiles	NS(c(cc(c(NCN1)c2)S1(=O)=O)c2Cl)(=O)=O
InChIKey	InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChI	JZUFKLXOESDKRF-UHFFFAOYSA-N

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Hydrochlorothiazide