SMILES:
CNC(=O)/C=C/c1cnc2c(c1)CCCC(=O)N2Molecular Processing
Molecular formula
C13H15N3O2
Molecular weight
245.28
Exact mass
245.1164
XLogP
1.12
TPSA
71.09
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
68.91
Supplementary Information
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