SMILES:
Cc1cc(N2CCCC2)c2ccc(OCc3ccc(C#N)cc3)cc2n1Molecular Processing
Molecular formula
C22H21N3O
Molecular weight
343.43
Exact mass
343.1685
XLogP
4.59
TPSA
49.15
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
103.42
Supplementary Information
Obteniendo detalles…
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