Name: compound 11B
SMILES:
O=C(O)C1=CC2CCC1CC2Molecular Processing
Molecular formula
C9H12O2
Molecular weight
152.19
Exact mass
152.0837
XLogP
1.82
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
41.17
Supplementary Information
Details werden geladen…
An 7 Reaktionen beteiligt→