이름: compound
SMILES:
OCCCCCSc1nc2ccccc2[nH]1Molecular Processing
Molecular formula
C12H16N2OS
Molecular weight
236.34
Exact mass
236.0983
XLogP
2.82
TPSA
48.91
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
16
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
0.417
Molar refractivity
67.75
Supplementary Information
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