SMILES:
O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2C2=CCC(O)CC2)C1Molecular Processing
Molecular formula
C21H21N5O3
Molecular weight
391.43
Exact mass
391.1644
XLogP
2.18
TPSA
104.23
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
106.28
Supplementary Information
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