名称: 2-amino-4-bromo-5-iodo-3-methoxy-6-methylbenzoic acid
SMILES:
COc1c(N)c(C(=O)O)c(C)c(I)c1BrMolecular Processing
Molecular formula
C9H9BrINO3
Molecular weight
385.98
Exact mass
384.8811
XLogP
2.65
TPSA
72.55
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
69.52
Supplementary Information
詳細情報を取得中…
4 件の反応に参加→