SMILES:
NC(=S)C1CCCC2=CC3=CC=CCC3NC21Molecular Processing
Molecular formula
C14H18N2S
Molecular weight
246.38
Exact mass
246.1191
XLogP
2.23
TPSA
38.05
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
74.76
Supplementary Information
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