SMILES:
N#CC=C(N)c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C9H6Cl2N2
Molecular weight
213.07
Exact mass
211.9908
XLogP
2.82
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
54.24
Supplementary Information
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