Chem 4 Amino 3 Hydroxynaphthalene 1 Sulphonic Acid

Compound 7
  CheckMol                        TMF02:r0:m0
MF=C10H9NO4S MW=239.25
 16 17  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    1.3157   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349   -1.2920   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3157   -0.7349   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920    0.7586   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5840    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2802    2.2759   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8761    0.7823   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5722   -1.4698   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5722    3.0345   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8642    2.2996   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1681    0.0356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8642   -2.2166   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5603    4.5517   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1562    3.0582   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1562   -1.4580   -0.0000 C   0 00  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 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 01  0  2  0  0
  6  9 02  0  1  0  0
  7 10 01  0  1  0  0
  8 11 01  0  1  0  0
  8 12 02  0  1  0  0
  9 13 01  0  1  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16 01  0  1  0  0
 10 11 02  0  1  0  0
 13 16 02  0  1  0  0
M  END

(4-Amino-3-Hydroxynaphthalene-1-Sulphonic Acid)

₹ 0.00 0.00

Chemical Name - (4-Amino-3-Hydroxynaphthalene-1-Sulphonic Acid)
Mol Weight - 239.25
Smiles - Nc(c1ccccc1c(S(O)(=O)=O)c1)c1O

Property Name	Property Value
Mol Name	(4-Amino-3-Hydroxynaphthalene-1-Sulphonic Acid)
Molweight	239.25
Monoisotopic Mass	239.025229
Clogp	-0.3983
Clogs	-1.608
H Acceptors	5
H Donors	3
Total Surface Area	157.66
Relative Psa	0.44431
Polar Surface Area	109
Druglikeness	-2.7078
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.4375
Molecular Flexibility	0.29126
Molecular Complexity	0.79048
Fragments	1
Non H Atoms	16
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	4
Symmetric Atoms	1
Amines	1
Aromatic Amines	1
Acidic Oxygens	1
Smiles	Nc(c1ccccc1c(S(O)(=O)=O)c1)c1O
InChIKey	InChI=1S/C10H9NO4S/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
InChI	RXCMFQDTWCCLBL-UHFFFAOYSA-N

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2 - (4-Amino-3-Hydroxynaphthalene-1-Sulphonic Acid)

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(4-Amino-3-Hydroxynaphthalene-1-Sulphonic Acid)