الاسم: product
SMILES:
CNc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#NMolecular Processing
Molecular formula
C19H12Cl3N3
Molecular weight
388.69
Exact mass
387.0097
XLogP
6.29
TPSA
48.71
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
104.4
Supplementary Information
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