SMILES:
OCCSC1CN=C(c2ccccc2)c2cc(Cl)ccc2N1Molecular Processing
Molecular formula
C17H17ClN2OS
Molecular weight
332.86
Exact mass
332.075
XLogP
3.65
TPSA
44.62
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
95.35
Supplementary Information
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