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Compound 79
  CheckMol                        TMF02:r0:m0
MF=C21H26Cl2O2 MW=381.34
 25 26  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2937   -0.7331   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2793   -2.2281   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5874    0.0287   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5730   -2.9612   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0431   -2.9612   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8811   -0.7044   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8667   -2.1993   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5587   -4.4561   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1748    0.0575   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8586   -2.9037   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8524   -5.1892   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.6756   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1605    1.5812   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380   -6.6842   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1461   -4.4274   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5155   -7.4173   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1317   -7.4173   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4398   -5.1605   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.3329   -2.5874   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -6.6554   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1173   -8.9122   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7335   -4.3986   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4110   -9.6453   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7949   -9.6453   -0.0000 C   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 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15 02  0  1  0  0
 12 16 01  0  1  0  0
 15 17  1  0  0  0  0
 15 18 01  0  1  0  0
 16 19 02  0  1  0  0
 16 20  1  0  0  0  0
 18 21 02  0  1  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  7  8 01  0  1  0  0
 19 21 01  0  1  0  0
M  END

Biclotymol

₹ 0.00 0.00

Chemical Name - Biclotymol
Mol Weight - 381.341
Smiles - CC(C)c1cc(Cl)c(C)c(Cc(c(C)c(cc2C(C)C)Cl)c2O)c1O
InChI - HNOOXWDWUSLXOB-UHFFFAOYSA-N
InChIKey - InChI=1S/C21H26Cl2O2/c1-10(2)14-8-18(22)12(5)16(20(14)24)7-17-13(6)19(23)9-15(11(3)4)21(17)25/h8-11,24-25H,7H2,1-6H3

Property Name	Property Value
Mol Name	Biclotymol
Molweight	381.341
Monoisotopic Mass	380.130984
Clogp	7.0579
Clogs	-6.637
H Acceptors	2
H Donors	2
Total Surface Area	288.88
Relative Psa	0.090695
Polar Surface Area	40.46
Druglikeness	-2.1881
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.44
Molecular Flexibility	0.45993
Molecular Complexity	0.87051
Fragments	1
Non H Atoms	25
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	11
Symmetric Atoms	13
Smiles	CC(C)c1cc(Cl)c(C)c(Cc(c(C)c(cc2C(C)C)Cl)c2O)c1O
InChIKey	InChI=1S/C21H26Cl2O2/c1-10(2)14-8-18(22)12(5)16(20(14)24)7-17-13(6)19(23)9-15(11(3)4)21(17)25/h8-11,24-25H,7H2,1-6H3
InChI	HNOOXWDWUSLXOB-UHFFFAOYSA-N

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Biclotymol