이름: 3-cyano-4-(4,6-diiodo-2,3-methylenedioxyanilino)-6,7-dimethoxyquinoline
SMILES:
COc1cc2ncc(C#N)c(Nc3c(I)cc(I)c4c3OCO4)c2cc1OCMolecular Processing
Molecular formula
C19H13I2N3O4
Molecular weight
601.14
Exact mass
600.8996
XLogP
4.81
TPSA
85.63
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
120.84
Supplementary Information
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