SMILES:
C=CC1CC1(NC(=O)n1ccnc1)C(=O)OCCMolecular Processing
Molecular formula
C12H15N3O3
Molecular weight
249.27
Exact mass
249.1113
XLogP
0.95
TPSA
73.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
63.82
Supplementary Information
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