SMILES:
O=C(NCC1CC1)Nc1ccc(C(=O)O)cc1Molecular Processing
Molecular formula
C12H14N2O3
Molecular weight
234.26
Exact mass
234.1004
XLogP
1.92
TPSA
78.43
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
63.15
Supplementary Information
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