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Compound 93
  CheckMol                        TMF02:r0:m0
MF=C19H15ClN2O4 MW=370.79
 26 28  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4926   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3268   -2.2271   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2794   -2.2271   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3386   -3.7197   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2675   -3.7197   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4542   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0592   -5.9468   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3742   -6.6813   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320   -6.6813   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5232   -5.9231   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8145   -6.6576   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114   -4.4068   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026   -8.1502   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1057   -5.8994   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026   -3.6486   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7908   -2.1323   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.0939   -4.3831   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.0820   -1.3623   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4759   -1.3742   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3851   -3.6249   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3733   -2.1086   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.0702    0.1540   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4640    0.1422   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.6764   -4.3594   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553    0.9122   -0.0000 C   0 00  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
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17 01  0  1  0  0
 16 18 02  0  1  0  0
 17 19 02  0  2  0  0
 17 20 01  0  1  0  0
 18 21 01  0  1  0  0
 19 22 01  0  1  0  0
 19 23 01  0  1  0  0
 20 24 02  0  1  0  0
 21 25  2  0  0  0  0
 23 26 02  0  1  0  0
  6  7 01  0  1  0  0
 21 22 01  0  1  0  0
 24 26 01  0  1  0  0
M  END

Rebamipide

₹ 0.00 0.00

Chemical Name - Rebamipide
Mol Weight - 370.791
Smiles - OC(C(CC(c(cccc1)c1N1)=CC1=O)NC(c(cc1)ccc1Cl)=O)=O

Property Name	Property Value
Mol Name	Rebamipide
Molweight	370.791
Monoisotopic Mass	370.072035
Clogp	1.6962
Clogs	-3.937
H Acceptors	6
H Donors	3
Total Surface Area	268.43
Relative Psa	0.27992
Polar Surface Area	95.5
Druglikeness	-9.7978
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecular Flexibility	0.50064
Molecular Complexity	0.81997
Fragments	1
Non H Atoms	26
Non Ch Atoms	7
Electronegative Atoms	7
Stereo Centers	1
Rotatable Bonds	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	3
Symmetric Atoms	2
Amides	2
Acidic Oxygens	1
Smiles	OC(C(CC(c(cccc1)c1N1)=CC1=O)NC(c(cc1)ccc1Cl)=O)=O
InChIKey	InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)
InChI	ALLWOAVDORUJLA-UHFFFAOYSA-N

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Rebamipide