SMILES:
N#Cc1ccc(C(=O)CCC(=O)O)cc1NMolecular Processing
Molecular formula
C11H10N2O3
Molecular weight
218.21
Exact mass
218.0691
XLogP
1.19
TPSA
104.18
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
56.77
Supplementary Information
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