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Compound 119
  CheckMol                        TMF02:r0:m0
MF=C26H28N2 MW=368.52
 28 31  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2877   -0.7324   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3113   -0.7324   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5121   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759   -2.2210   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5754    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6226    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3231    2.2682   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0354   -2.9534   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5636   -2.9652   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8630   -0.7088   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5636    1.5358   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6344    1.5358   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4419   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5517   -4.4537   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1507    0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8512    2.2918   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9457    2.2918   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2404   -5.1862   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1389    1.5594   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2571    1.5594   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5684    2.3155   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8797    1.5830   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1910    2.3509   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8915    0.0945   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.5023    1.6185   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2028   -0.6379   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.5141    0.1299   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  1  0  0
  1  4  1  0  1  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  1  0  0
  4  8  1  0  1  0  0
  5  9 02  0  1  0  0
  5 10 01  0  1  0  0
  6 11 02  0  1  0  0
  6 12 01  0  1  0  0
  7 13  1  0  1  0  0
  9 14 01  0  1  0  0
 10 15 02  0  1  0  0
 11 16 01  0  1  0  0
 12 17 02  0  1  0  0
 13 18  1  0  0  0  0
 14 19 02  0  1  0  0
 16 20 02  0  1  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24 02  0  1  0  0
 23 25 01  0  1  0  0
 24 26 01  0  1  0  0
 25 27 02  0  1  0  0
 26 28 02  0  1  0  0
  8 13  1  0  1  0  0
 15 19 01  0  1  0  0
 17 20 01  0  1  0  0
 27 28 01  0  1  0  0
M  END

Cinnarizine

₹ 0.00 0.00

Chemical Name - Cinnarizine
Mol Weight - 368.522
Smiles - C(/C=C/c1ccccc1)N(CC1)CCN1C(c1ccccc1)c1ccccc1

Property Name	Property Value
Mol Name	Cinnarizine
Molweight	368.522
Monoisotopic Mass	368.225248
Clogp	5.256
Clogs	-3.799
H Acceptors	2
Total Surface Area	307.68
Relative Psa	0.023076
Polar Surface Area	6.48
Druglikeness	6.5107
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.36201
Molecular Complexity	0.63962
Fragments	1
Non H Atoms	28
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	8
Symmetric Atoms	12
Amines	2
Alkyl Amines	2
Basic Nitrogens	2
Smiles	C(/C=C/c1ccccc1)N(CC1)CCN1C(c1ccccc1)c1ccccc1
InChIKey	InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2
InChI	DERZBLKQOCDDDZ-UHFFFAOYSA-N

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Cinnarizine