SMILES:
CCn1cc(C(=O)O)c(C)n1Molecular Processing
Molecular formula
C7H10N2O2
Molecular weight
154.17
Exact mass
154.0742
XLogP
0.91
TPSA
55.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
39.6
Supplementary Information
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