SMILES:
COc1ccc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)c(OC)c1OCMolecular Processing
Molecular formula
C21H21ClN6O3
Molecular weight
440.89
Exact mass
440.1364
XLogP
4.39
TPSA
106.21
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
119.84
Supplementary Information
Obteniendo detalles…
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