SMILES:
Cc1ccc2ncn(C3CCC(=O)NC3=O)c(=O)c2c1Molecular Processing
Molecular formula
C14H13N3O3
Molecular weight
271.28
Exact mass
271.0957
XLogP
0.68
TPSA
81.06
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
72.16
Supplementary Information
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