SMILES:
CSC1=N[C@@H](c2ccccc2C)[C@@H](c2ccccc2C)N1.IMolecular Processing
Molecular formula
C18H21IN2S
Molecular weight
424.35
Exact mass
424.047
XLogP
5.03
TPSA
24.39
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.278
Molar refractivity
107.34
Supplementary Information
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