Nombre: compound
SMILES:
Nc1ccc(CN2N=C(c3ccc(Cl)cc3)COC2=O)cc1Molecular Processing
Molecular formula
C16H14ClN3O2
Molecular weight
315.76
Exact mass
315.0775
XLogP
3.28
TPSA
67.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
85.73
Supplementary Information
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