SMILES:
[O-][N+]12CCC(CC1)C(Oc1ncc(-c3cccc4[nH]ccc34)cn1)C2Molecular Processing
Molecular formula
C19H20N4O2
Molecular weight
336.4
Exact mass
336.1586
XLogP
3.11
TPSA
73.86
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
94.69
Supplementary Information
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