الاسم: EtOAc Hexane-1
SMILES:
CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)OMolecular Processing
Molecular formula
C18H31NO4S
Molecular weight
357.52
Exact mass
357.1974
XLogP
3.07
TPSA
77.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
24
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
98.22
Supplementary Information
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