이름: 2,6-dichloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetic acid
SMILES:
O=C(O)C(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1ClMolecular Processing
Molecular formula
C17H10Cl3N3O4
Molecular weight
426.64
Exact mass
424.9737
XLogP
3.1
TPSA
105.05
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
101.41
Supplementary Information
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