名称: 3-ethyl-5,6-methylenedioxyindan-1-one
SMILES:
CCC1CC(=O)c2cc3c(cc21)OCO3Molecular Processing
Molecular formula
C12H12O3
Molecular weight
204.22
Exact mass
204.0786
XLogP
2.5
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
54.54
Supplementary Information
詳細情報を取得中…
1 件の反応に参加→