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Compound 46
  CheckMol                        TMF02:r0:m0
MF=C6H12N2O4S2 MW=240.29
 14 13  0  0  1               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104   -0.7438   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2868   -0.7438   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9313   -0.7319   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618    1.5229   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8604   -0.7319   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9431   -2.2194   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2417    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1472    0.0236   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8486   -2.2194   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2535    1.5347   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5521   -0.7201   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  6  0  0  0
  5  8  1  0  0  0  0
  6  9  1  6  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
M  END

L-Cystine

₹ 0.00 0.00

Chemical Name - L-Cystine
Mol Weight - 240.303
Smiles - N[C@@H](CSSC[C@@H](C(O)=O)N)C(O)=O

Property Name	Property Value
Mol Name	L-Cystine
Molweight	240.303
Monoisotopic Mass	240.023848
Clogp	-5.5478
Clogs	-1.132
H Acceptors	6
H Donors	4
Total Surface Area	166.24
Relative Psa	0.70861
Polar Surface Area	177.24
Druglikeness	-6.7623
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.71429
Molecular Flexibility	0.86154
Molecular Complexity	0.38376
Fragments	1
Non H Atoms	14
Non Ch Atoms	8
Electronegative Atoms	8
Stereo Centers	2
Rotatable Bonds	7
Sp3 Atoms	10
Symmetric Atoms	7
Amines	2
Alkyl Amines	2
Basic Nitrogens	2
Acidic Oxygens	2
Smiles	N[C@@H](CSSC[C@@H](C(O)=O)N)C(O)=O
InChIKey	InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
InChI	LEVWYRKDKASIDU-IMJSIDKUSA-N

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L-Cystine