CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)nc1CO
名称: Example ( 27b )
SMILES: CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)nc1CO

Molecular Processing

Molecular formula
C19H26ClN5O5S
Molecular weight
471.97
Exact mass
471.1343
XLogP
1.77
TPSA
129.67
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
115.85

Supplementary Information

詳細情報を取得中…

4 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→