SMILES:
O=C1OC[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2nc[nH]c2c1Molecular Processing
Molecular formula
C22H17N3O2
Molecular weight
355.4
Exact mass
355.1321
XLogP
4.93
TPSA
58.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
104.54
Supplementary Information
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