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Computational Chemical Data For γ-aminobutyric Acid

Jul 13, 2022 Leave a message

1. Reference value for hydrophobic parameter calculation (XlogP): -3.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. The number of tautomers:

6. Topological molecular polar surface area (TPSA): 63.3

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 62.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of indeterminate atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereo centers: 0

15. Number of covalent bond units: 1


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