1,3,5-Naphthalenetrisulfonicacid, 8-amino- (17894-99-4)

The 1-Naphthylamine-4,6,8-trisulfonic acid is an organic compound with the formula C₁₀H₉NO₉S₃. The IUPAC name of this chemical is 8-aminonaphthalene-1,3,5-trisulfonic acid. With the CAS registry number 17894-99-4, it is also named as 1,3,5-naphthalenetrisulfonic acid, 8-amino-.

Physical properties about 1-Naphthylamine-4,6,8-trisulfonic acid are: (1)ACD/LogP: -1.76; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -7.26; (4)ACD/LogD (pH 7.4): -7.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 158.49 Å²; (13)Index of Refraction: 1.748; (14)Molar Refractivity: 78.97 cm³; (15)Molar Volume: 194.1 cm³; (16)Polarizability: 31.3×10^-24cm³; (17)Surface Tension: 105.9 dyne/cm; (18)Density: 1.974 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(cc2c(ccc(N)c12)S(=O)(=O)O)S(=O)(=O)O
(2)InChI: InChI=1/C10H9NO9S3/c11-7-1-2-8(22(15,16)17)6-3-5(21(12,13)14)4-9(10(6)7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
(3)InChIKey: RQVVDWMOCSOAJS-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H9NO9S3/c11-7-1-2-8(22(15,16)17)6-3-5(21(12,13)14)4-9(10(6)7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
(5)Std. InChIKey: RQVVDWMOCSOAJS-UHFFFAOYSA-N