名称: 3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-7-bromoacetamido-3-cephem-4-carboxylic acid
SMILES:
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)CBr)[C@H]2SC1Molecular Processing
Molecular formula
C12H13BrN6O4S2
Molecular weight
449.31
Exact mass
447.9623
XLogP
-0.56
TPSA
130.31
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
93
Supplementary Information
詳細情報を取得中…
2 件の反応に参加→