SMILES:
O=c1[nH]c(-c2ccc(Cl)cc2Cl)cn2ccnc12Molecular Processing
Molecular formula
C12H7Cl2N3O
Molecular weight
280.11
Exact mass
278.9966
XLogP
3
TPSA
50.16
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
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
Molar refractivity
71.27
Supplementary Information
Récupération des détails…
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