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Compound 52
  CheckMol                        TMF02:r0:m0
MF=C19H21N3O MW=307.39
 23 26  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.7722   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898    0.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9560    0.6534   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.7324   -1.4612   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9539   -0.4514   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.1936    2.1503   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1936   -1.7582   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    6.4508   -0.3445   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5004    2.8987   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3061    0.9029   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.1754   -1.6513   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8903    2.3403   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.7555    0.5584   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.6723   -1.6632   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3914   -2.9343   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9239    3.4452   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.7890    1.6632   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.3970   -2.9700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1160   -4.2411   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3732    3.1006   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.6129   -4.2530   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3376   -5.5598   -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
  3  4 01  0  1  0  0
  3  5 02  0  1  0  0
  4  6 01  0  2  0  0
  4  7  1  0  1  0  0
  5  8 01  0  1  0  0
  6  9  1  0  1  0  0
  7 10  1  0  1  0  0
  9 11  1  0  1  0  0
  9 12  2  0  0  0  0
 10 13  1  0  1  0  0
 11 14 01  0  1  0  0
 12 15  1  0  1  0  0
 12 16  1  0  1  0  0
 13 17 01  0  1  0  0
 14 18 02  0  1  0  0
 15 19  1  0  1  0  0
 16 20  1  0  1  0  0
 17 21 02  0  1  0  0
 19 22  1  0  1  0  0
 22 23  1  0  0  0  0
  6  8 02  0  1  0  0
 11 13 02  0  2  0  0
 18 21 01  0  1  0  0
 20 22  1  0  1  0  0
M  END

Alcaftadine

₹ 0.00 0.00

Chemical Name - Alcaftadine
Mol Weight - 307.396
Smiles - CN(CC1)CCC1=C(c1ncc(C=O)n1CC1)c2c1cccc2

Property Name	Property Value
Mol Name	Alcaftadine
Molweight	307.396
Monoisotopic Mass	307.168462
Clogp	3.2203
Clogs	-1.526
H Acceptors	4
Total Surface Area	241.56
Relative Psa	0.14253
Polar Surface Area	38.13
Druglikeness	5.9811
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.47826
Molecular Flexibility	0.17047
Molecular Complexity	0.89147
Fragments	1
Non H Atoms	23
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	8
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	CN(CC1)CCC1=C(c1ncc(C=O)n1CC1)c2c1cccc2
InChIKey
InChI	C19H21N3O

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Alcaftadine