Name: sodium secobarbital
SMILES:
C=CCC1(C(C)CCC)C(=O)[N-]C(=O)NC1=O.[Na+]Molecular Processing
Molecular formula
C12H17N2NaO3
Molecular weight
260.27
Exact mass
260.1137
XLogP
-0.86
TPSA
77.34
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.583
Molar refractivity
63.22
Supplementary Information
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