SMILES:
COc1ccc2[nH]c(SCC=C(C)CCC=C(C)C)nc2c1Molecular Processing
Molecular formula
C18H24N2OS
Molecular weight
316.47
Exact mass
316.1609
XLogP
5.36
TPSA
37.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
95.79
Supplementary Information
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