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Compound 44
  CheckMol                        TMF02:r0:m0
MF=C14H22N2O3 MW=266.34
 19 19  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935    0.7595   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816    2.2785   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5870    0.0119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8805    0.7714   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8687    2.2903   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1740    0.0356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1622    3.0498   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4675    0.7951   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4557    2.3022   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7492    3.0617   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0427    2.3259   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3362    3.0854   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3243    4.6044   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6297    2.3497   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9232    3.1092   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167    2.3734   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5102    3.1329   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2048    0.8782   -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  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  9 10 01  0  1  0  0
M  END

Atenolol

₹ 0.00 0.00

Chemical Name - Atenolol
Mol Weight - 266.34
Smiles - CC(C)NCC(COc1ccc(CC(N)=O)cc1)O

Property Name	Property Value
Mol Name	Atenolol
Molweight	266.34
Monoisotopic Mass	266.163043
Clogp	0.3065
Clogs	-2.022
H Acceptors	5
H Donors	3
Total Surface Area	218.14
Relative Psa	0.28821
Polar Surface Area	84.58
Druglikeness	7.2414
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.73684
Molecular Flexibility	0.63639
Molecular Complexity	0.57248
Fragments	1
Non H Atoms	19
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	1
Rotatable Bonds	8
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	10
Symmetric Atoms	3
Amides	1
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CC(C)NCC(COc1ccc(CC(N)=O)cc1)O
InChIKey	InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
InChI	METKIMKYRPQLGS-UHFFFAOYSA-N

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Atenolol