CNC(=S)N1Cc2ccccc2C2(Cc3ccc(Cl)cc3O2)C1
이름: 6-chloro-2'-(N-methylthiocarbamyl)spiro[benzofuran-2(3H),4'(2'H)-isoquinoline]
SMILES: CNC(=S)N1Cc2ccccc2C2(Cc3ccc(Cl)cc3O2)C1

Molecular Processing

Molecular formula
C18H17ClN2OS
Molecular weight
344.87
Exact mass
344.075
XLogP
3.49
TPSA
24.5
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
95.97

Supplementary Information

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