Name: 1G
SMILES:
Cc1ccc(NNC(=O)O)c2c1CCC(C)O2Molecular Processing
Molecular formula
C12H16N2O3
Molecular weight
236.27
Exact mass
236.1161
XLogP
2.3
TPSA
70.59
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.37
Supplementary Information
Fetching details…
Involved in 2 reactions→