Substructure
1. Molar refractive index: 24.67

2. Molar volume (cm3/mol): 89.53. Isometric specific volume (90.2K): 221.2

4. Surface tension (dyne/cm): 37.2

5. Polarizability (10-24cm3): 9.78

Computational Chemistry
1. Hydrophobic parameter calculation reference value (XlogP): 0.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecular polar surface area 20.2

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 39.2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of bond stereocenters: 0

15. Number of covalent bond units: 1