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Compound 91
  CheckMol                        TMF02:r0:m0
MF=C12H22O11 MW=342.30
 23 24  0  2  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5133   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3123   -0.7330   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768    2.2699   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241    2.2817   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6246    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241   -2.2226   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    1.5369   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359    3.7950   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6364    1.5487   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9369   -0.7093   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9674   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8541    2.2935   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5536    0.0473   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9487    2.3172   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8423    3.8068   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1427    1.5487   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8423   -0.6857   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -0.6975   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4314    2.3054   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1309    0.0591   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2295   -2.1871   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4196   -0.6857   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  1  0  0
  1  3  1  0  1  0  0
  2  4  1  6  0  0  0
  2  5  1  0  1  0  0
  3  6  1  0  1  0  0
  3  7  1  6  0  0  0
  8  4  1  1  0  0  0
  5  9  1  1  0  0  0
  5 10  1  0  1  0  0
  6 11  1  6  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  1  0  0
  8 14  1  0  1  0  0
 10 15  1  6  0  0  0
 13 16  1  6  0  0  0
 13 17  1  0  1  0  0
 14 18  1  0  1  0  0
 14 19  1  6  0  0  0
 17 20  1  1  0  0  0
 17 21  1  0  1  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6 10  1  0  1  0  0
 18 21  1  0  1  0  0
M  END

Lactose

₹ 0.00 0.00

Chemical Name - Lactose
Mol Weight - 342.296
Smiles - OC[C@H]([C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@H]([C@@H](CO)OC([C@@H]1O)O)[C@@H]1O

Property Name	Property Value
Mol Name	Lactose
Molweight	342.296
Monoisotopic Mass	342.116215
Clogp	-4.4579
Clogs	0.551
H Acceptors	11
H Donors	8
Total Surface Area	219.82
Relative Psa	0.61323
Polar Surface Area	189.53
Druglikeness	-7.6104
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.47826
Molecular Flexibility	0.35865
Molecular Complexity	0.84556
Fragments	1
Non H Atoms	23
Non Ch Atoms	11
Electronegative Atoms	11
Stereo Centers	10
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Sp3 Atoms	23
Smiles	OC[C@H]([C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@H]([C@@H](CO)OC([C@@H]1O)O)[C@@H]1O
InChIKey	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6-,7-,8-,9-,10-,11?,12+/m1/s1
InChI	GUBGYTABKSRVRQ-ZMYKSUFESA-N

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Lactose