이름: methyl 3-piperazin-4-ium-1-ylsulfonylpropanoate chloride
SMILES:
COC(=O)CCS(=O)(=O)N1CC[NH2+]CC1.[Cl-]Molecular Processing
Molecular formula
C8H17ClN2O4S
Molecular weight
272.75
Exact mass
272.0598
XLogP
-5.24
TPSA
80.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.875
Molar refractivity
53.65
Supplementary Information
InChIKey: YCJJUNYEUMJIHI-UHFFFAOYSA-N
동의어
YCJJUNYEUMJIHI-UHFFFAOYSA-N4-(2-methoxycarbonyl-ethanesulfonyl)-piperazin-1-ium chloride
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