SMILES:
O=C1CCC(c2ccc3c(c2)NCCO3)=NN1Molecular Processing
Molecular formula
C12H13N3O2
Molecular weight
231.25
Exact mass
231.1008
XLogP
1.1
TPSA
62.72
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
64.34
Supplementary Information
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