ON=C(Cc1cccnc1)c1ccc(Cl)cc1Cl
SMILES: ON=C(Cc1cccnc1)c1ccc(Cl)cc1Cl

Molecular Processing

Molecular formula
C13H10Cl2N2O
Molecular weight
281.14
Exact mass
280.017
XLogP
3.81
TPSA
45.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
72.73

Supplementary Information

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