SMILES:
CCC1(CCC(=O)O)CCC[N+]2=C1c1[nH]c3ccccc3c1CC2.[O-][Cl+3]([O-])([O-])[O-]Molecular Processing
Molecular formula
C20H25ClN2O6
Molecular weight
424.88
Exact mass
424.1401
XLogP
-1.18
TPSA
148.34
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
94.93
Supplementary Information
詳細情報を取得中…
1 件の反応に参加→