SMILES:
O=C1CCC(c2cccc(O)c2)N1c1cnc(Oc2ccc(Cl)cc2)cn1Molecular Processing
Molecular formula
C20H16ClN3O3
Molecular weight
381.82
Exact mass
381.088
XLogP
4.5
TPSA
75.55
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
101.13
Supplementary Information
Obteniendo detalles…
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