SMILES:
CC1=CC(=Nc2ccc(N3CCC([N+](C)(C)C)C3)cc2)C(N)=C(Cl)C1=O.[Cl-]Molecular Processing
Molecular formula
C20H26Cl2N4O
Molecular weight
409.36
Exact mass
408.1484
XLogP
-0.01
TPSA
58.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
108.02
Supplementary Information
詳細情報を取得中…
1 件の反応に参加→