SMILES:
O=CC12CC=CCC1C1CC=CCC1O2Molecular Processing
Molecular formula
C13H16O2
Molecular weight
204.27
Exact mass
204.115
XLogP
2.26
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
57.4
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→