SMILES:
Clc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)s1Molecular Processing
Molecular formula
C18H17ClN2S
Molecular weight
328.87
Exact mass
328.0801
XLogP
4.56
TPSA
16.96
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
93.71
Supplementary Information
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