이름: N-(3,5-Dichlorobenzenesulfonyl)-octahydroisoindole-1-carboxylic acid
SMILES:
O=C(O)C1C2CCCCC2CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1Molecular Processing
Molecular formula
C15H17Cl2NO4S
Molecular weight
378.28
Exact mass
377.0255
XLogP
3.26
TPSA
74.68
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
87.23
Supplementary Information
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