名称: (S)-2-(6-chloro-3-nitro-pyridin-2-ylamino)-propionic acid methyl ester
SMILES:
COC(=O)[C@H](C)Nc1nc(Cl)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C9H10ClN3O4
Molecular weight
259.65
Exact mass
259.036
XLogP
1.62
TPSA
94.36
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
61
Supplementary Information
詳細情報を取得中…
4 件の反応に参加→