1H-Indole-3-ethanol,5-(1H-1,2,4-triazol-1-ylmethyl)- (160194-39-8)

The 2-[5-(1,2,4-Triazol-1-ylmethyl)-1H-indol-3-yl]ethanol with cas registry number of 160194-39-8, is also called 1H-Indole-3-ethanol,5-(1H-1,2,4-triazol-1-ylmethyl)- .

Physical properties of 2-[5-(1,2,4-Triazol-1-ylmethyl)-1H-indol-3-yl]ethanol :(1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 66.73 Å²; (7)Index of Refraction: 1.697; (8)Molar Refractivity: 68.779 cm³; (9)Molar Volume: 178.585 cm³; (10)Polarizability: 27.266×10^-24cm³; (11)Surface Tension: 57.123 dyne/cm; (12)Enthalpy of Vaporization: 86.75 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:n1cn(nc1)Cc2cc3c(cc2)ncc3CCO; (2)InChI:InChI=1/C13H14N4O/c18-4-3-11-6-15-13-2-1-10(5-12(11)13)7-17-9-14-8-16-17/h1-2,5-6,8-9,15,18H,3-4,7H2; (3)InChIKey:WXWBRTKSGCYLQS-UHFFFAOYAO; (4)Std. InChI:InChI=1S/C13H14N4O/c18-4-3-11-6-15-13-2-1-10(5-12(11)13)7-17-9-14-8-16-17/h1-2,5-6,8-9,15,18H,3-4,7H2; (5)Std. InChIKey:WXWBRTKSGCYLQS-UHFFFAOYSA-N.