SMILES:
COc1cccc(C(=O)Nc2ccc3ccc(OC)nc3n2)c1Molecular Processing
Molecular formula
C17H15N3O3
Molecular weight
309.32
Exact mass
309.1113
XLogP
2.9
TPSA
73.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
87.04
Supplementary Information
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