SMILES:
CCCN1CCCC2Cc3[nH]c(=O)sc3CC21Molecular Processing
Molecular formula
C13H20N2OS
Molecular weight
252.38
Exact mass
252.1296
XLogP
2.03
TPSA
36.1
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
70.72
Supplementary Information
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