Clc1ccc(SC2CCN(Cc3ccccc3)C2)cc1.O=C(O)/C=C\C(=O)O
Name: 3-[(4-chlorophenyl)thio]-1-(phenylmethyl)pyrrolidine maleate
SMILES: Clc1ccc(SC2CCN(Cc3ccccc3)C2)cc1.O=C(O)/C=C\C(=O)O

Molecular Processing

Molecular formula
C21H22ClNO4S
Molecular weight
419.93
Exact mass
419.0958
XLogP
4.42
TPSA
77.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.238
Molar refractivity
111.84

Supplementary Information

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