SMILES:
O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)c2ccccc12Molecular Processing
Molecular formula
C25H21N3O5
Molecular weight
443.46
Exact mass
443.1481
XLogP
3.74
TPSA
102.68
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
122
Supplementary Information
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