COCCC(OC(C)=O)C(=O)Nc1ccc(C)cn1
SMILES: COCCC(OC(C)=O)C(=O)Nc1ccc(C)cn1

Molecular Processing

Molecular formula
C13H18N2O4
Molecular weight
266.3
Exact mass
266.1267
XLogP
1.3
TPSA
77.52
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
69.65

Supplementary Information

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