CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SC3CC(C[N+]4(C)CCCC4)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)C(C)C12
SMILES: CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SC3CC(C[N+]4(C)CCCC4)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)C(C)C12

Molecular Processing

Molecular formula
C35H42N5O10S+
Molecular weight
724.81
Exact mass
724.2647
XLogP
4.37
TPSA
182.66
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
51
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
1
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.514
Molar refractivity
184.68

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→