NTP 10th Report on Carcinogens, 2000: Reasonably anticipated to be human carcinogen

The Decabromodiphenyl, with the CAS registry number 13654-09-6 and EINECS registry number 237-137-2, has the systematic name of decabromobiphenyl. It belongs to the product category of Organics, and the molecular formula of this chemical is C₁₂Br₁₀.

The physical properties of Decabromodiphenyl are as following: (1)ACD/LogP: 9.44; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.44; (4)ACD/LogD (pH 7.4): 9.44; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3266523.25; (8)ACD/KOC (pH 7.4): 3266523.25; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 127.74 cm³; (15)Molar Volume: 316.5 cm³; (16)Polarizability: 50.64×10^-24cm³; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 2.979 g/cm³; (19)Flash Point: 285.3 °C; (20)Enthalpy of Vaporization: 82.12 kJ/mol; (21)Boiling Point: 568.3 °C at 760 mmHg; (22)Vapour Pressure: 2.42E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(Br)c(Br)c(Br)c1Br)c2c(Br)c(Br)c(Br)c(Br)c2Br
(2)InChI: InChI=1/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
(3)InChIKey: AQPHBYQUCKHJLT-UHFFFAOYAA