SMILES:
O=C1Nc2cccc(-c3ccncc3)c2C1=Cc1[nH]cc2c1CCOC2=OMolecular Processing
Molecular formula
C21H15N3O3
Molecular weight
357.37
Exact mass
357.1113
XLogP
3.28
TPSA
84.08
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
100.95
Supplementary Information
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