SMILES:
OCCCSc1ccc(O)cc1Molecular Processing
Molecular formula
C9H12O2S
Molecular weight
184.26
Exact mass
184.0558
XLogP
1.87
TPSA
40.46
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
50.53
Supplementary Information
詳細情報を取得中…
6 件の反応に参加→