이름: 4-chloro-2-[(2,5-dichloro-4-pyridinyl)amino]benzonitrile
SMILES:
N#Cc1ccc(Cl)cc1Nc1cc(Cl)ncc1ClMolecular Processing
Molecular formula
C12H6Cl3N3
Molecular weight
298.56
Exact mass
296.9627
XLogP
4.66
TPSA
48.71
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
73.71
Supplementary Information
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