CC(=O)NCc1cc(C(C)(C)C)cc(S(=O)(=O)Cl)c1O
SMILES: CC(=O)NCc1cc(C(C)(C)C)cc(S(=O)(=O)Cl)c1O

Molecular Processing

Molecular formula
C13H18ClNO4S
Molecular weight
319.81
Exact mass
319.0645
XLogP
2.25
TPSA
83.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
77.37

Supplementary Information

상세 정보 불러오는 중…

17개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→