SMILES:
Oc1cc(C2CCC3(CC2)OCCO3)nc2ccnn12Molecular Processing
Molecular formula
C14H17N3O3
Molecular weight
275.31
Exact mass
275.127
XLogP
1.84
TPSA
68.88
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
20
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
70.5
Supplementary Information
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