Chem 2 Cyclohexylamino Ethanesulphonic Acid

Compound 15
  CheckMol                        TMF02:r0:m0
MF=C8H17NO3S MW=207.29
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7601    1.3183   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7364   -1.2946   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3183   -0.7364   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946    0.7601   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5891    0.0119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8837    0.7720   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1783    0.0238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1664   -1.4727   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4728    0.7839   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4609   -2.2209   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7674    0.0356   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555   -1.4608   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  1  0  0
  8 10  1  0  1  0  0
  9 11  1  0  1  0  0
 10 12  1  0  1  0  0
 11 13  1  0  1  0  0
 12 13  1  0  1  0  0
M  END

[2-(Cyclohexylamino) Ethanesulphonic Acid]

₹ 0.00 0.00

Chemical Name - [2-(Cyclohexylamino) Ethanesulphonic Acid]
Mol Weight - 207.293
Smiles - OS(CCNC1CCCCC1)(=O)=O

Property Name	Property Value
Mol Name	[2-(Cyclohexylamino) Ethanesulphonic Acid]
Molweight	207.293
Monoisotopic Mass	207.092914
Clogp	-2.1315
Clogs	-1.267
H Acceptors	4
H Donors	2
Total Surface Area	155.21
Relative Psa	0.34237
Polar Surface Area	74.78
Druglikeness	-12.587
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.69231
Molecular Flexibility	0.62164
Molecular Complexity	0.48173
Fragments	1
Non H Atoms	13
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Sp3 Atoms	11
Symmetric Atoms	3
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	OS(CCNC1CCCCC1)(=O)=O
InChIKey	InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)
InChI	MKWKNSIESPFAQN-UHFFFAOYSA-N

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1 - [2-(Cyclohexylamino) Ethanesulphonic Acid]
2 - [2-(Cyclohexylamino) Ethanesulphonic Acid]

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[2-(Cyclohexylamino) Ethanesulphonic Acid]