N#Cc1ccc(N2C(=O)C3C(O)CCN3C2=O)c2cccnc12
SMILES: N#Cc1ccc(N2C(=O)C3C(O)CCN3C2=O)c2cccnc12

Molecular Processing

Molecular formula
C16H12N4O3
Molecular weight
308.3
Exact mass
308.0909
XLogP
1.01
TPSA
97.53
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
80.46

Supplementary Information

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