SMILES:
Clc1cc(N2CCOCC2)n2nc(-c3ccccn3)cc2n1Molecular Processing
Molecular formula
C15H14ClN5O
Molecular weight
315.76
Exact mass
315.0887
XLogP
2.28
TPSA
55.55
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
84.26
Supplementary Information
Obteniendo detalles…
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