The 6-Chloropyrido[2,3-b]pyrazin-2(1H)-one, with the CAS registry number 70395-75-4, is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H4ClN3O.
The characteristics of 6-Chloropyrido[2,3-b]pyrazin-2(1H)-one are as followings: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 40; (7)ACD/KOC (pH 7.4): 9; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 54.35 Å2; (12)Index of Refraction: 1.749; (13)Molar Refractivity: 44.318 cm3; (14)Molar Volume: 108.881 cm3; (15)Polarizability: 17.569×10-24cm3; (16)Surface Tension: 64.716 dyne/cm; (17)Density: 1.668 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(nc2c1[nH]c(=O)cn2)Cl
(2)InChI: InChI=1/C7H4ClN3O/c8-5-2-1-4-7(11-5)9-3-6(12)10-4/h1-3H,(H,10,12)
(3)InChIKey: GFJOTUQAVJCFEK-UHFFFAOYAR
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