Home > Blog > Content
Diethyl phthalate computational chemistry data
Feb 02, 2016

1, hydrophobic parameter calculation of the reference value (XlogP): 2.5

2, the number of hydrogen bond donors: 0

3, hydrogen bond acceptor count: 4

4, the number of rotatable bonds: 6

5, topological molecular polar surface area (TPSA): 52.6

6, atomic number: 16

7, surface charge: 0

8, complexity: 223

9, isotopes and atomic number: 0

10, determining the number of Atomic state construction Center: 0

11, does not determine the number of Atomic state construction Center: 0

12, the number of determining chemical bonding State construction Center: 0

13, does not determine the number of chemical bonding State construction Center: 0

14, covalent bonding unit quantity: 1