SMILES:
O=C1OCC2CC12c1ccccc1Molecular Processing
Molecular formula
C11H10O2
Molecular weight
174.2
Exact mass
174.0681
XLogP
1.5
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
47.19
Supplementary Information
詳細情報を取得中…
1 件の反応に参加→