SMILES:
O=C(NCCC1C2CCC1CC2)c1cnc(OCC2CO2)s1Molecular Processing
Molecular formula
C16H22N2O3S
Molecular weight
322.43
Exact mass
322.1351
XLogP
2.48
TPSA
63.75
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
83.24
Supplementary Information
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