SMILES:
Cc1c(C)c2c(c(C)c1NC=O)CC(C)(CC#N)O2Molecular Processing
Molecular formula
C15H18N2O2
Molecular weight
258.32
Exact mass
258.1368
XLogP
2.79
TPSA
62.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
73.31
Supplementary Information
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