SMILES:
Cc1ccc(NC(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C22H21N5O6
Molecular weight
451.44
Exact mass
451.1492
XLogP
1.99
TPSA
150.75
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
116.18
Supplementary Information
Obteniendo detalles…
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