الاسم: 2-[3-chloro-4-[(2,4-dichlorophenyl)hydroxymethyl]phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
SMILES:
O=c1cnn(-c2ccc(C(O)c3ccc(Cl)cc3Cl)c(Cl)c2)c(=O)[nH]1Molecular Processing
Molecular formula
C16H10Cl3N3O3
Molecular weight
398.63
Exact mass
396.9788
XLogP
2.96
TPSA
87.98
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
95.99
Supplementary Information
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