SMILES:
CCCC(C)C1(CC)C(=O)N=C([S-])NC1=OMolecular Processing
Molecular formula
C11H17N2O2S-
Molecular weight
241.34
Exact mass
241.1016
XLogP
1.38
TPSA
58.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
64.75
Supplementary Information
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