CN1CCc2c(C#N)cc3[nH]c(=O)c(=O)[nH]c3c2C1
SMILES: CN1CCc2c(C#N)cc3[nH]c(=O)c(=O)[nH]c3c2C1

Molecular Processing

Molecular formula
C13H12N4O2
Molecular weight
256.26
Exact mass
256.096
XLogP
0.08
TPSA
92.75
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
69.94

Supplementary Information

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