O=C(O)CC1=CC(O)c2ccccc21
SMILES: O=C(O)CC1=CC(O)c2ccccc21

Molecular Processing

Molecular formula
C11H10O3
Molecular weight
190.2
Exact mass
190.063
XLogP
1.59
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
51.63

Supplementary Information

詳細情報を取得中…

2 件の反応に参加