SMILES:
O=C1OC2(CCN(c3nc4cc(-c5ncco5)ccc4[nH]3)CC2)c2ccccc21Molecular Processing
Molecular formula
C22H18N4O3
Molecular weight
386.41
Exact mass
386.1379
XLogP
3.88
TPSA
84.25
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
106.57
Supplementary Information
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