SMILES:
O=C(O)c1ccc2c(c1)C1CCCN(C(=O)c3ccc4[nH]cnc4c3)C1C2Molecular Processing
Molecular formula
C21H19N3O3
Molecular weight
361.4
Exact mass
361.1426
XLogP
3.21
TPSA
86.29
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
100
Supplementary Information
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