CC1(C)CC=C(c2cccs2)c2cc(C(=O)Oc3ccc(C(=O)O)cc3)ccc21
SMILES: CC1(C)CC=C(c2cccs2)c2cc(C(=O)Oc3ccc(C(=O)O)cc3)ccc21

Molecular Processing

Molecular formula
C24H20O4S
Molecular weight
404.49
Exact mass
404.1082
XLogP
5.78
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
113.84

Supplementary Information

상세 정보 불러오는 중…

16개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→