CC(=O)OCC(=C(C(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])c1ccccc1)c1ccc(S(C)(=O)=O)cc1
SMILES: CC(=O)OCC(=C(C(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])c1ccccc1)c1ccc(S(C)(=O)=O)cc1

Molecular Processing

Molecular formula
C25H28N2O12S
Molecular weight
580.57
Exact mass
580.1363
XLogP
3.06
TPSA
191.48
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
16
Heavy atoms
40
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
139.06

Supplementary Information

상세 정보 불러오는 중…

2개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→