이름: 4-methyl-7-(3-thienyl)-5,6,7,8-tetrahydroquinolin-5-one
SMILES:
Cc1ccnc2c1C(=O)CC(c1ccsc1)C2Molecular Processing
Molecular formula
C14H13NOS
Molecular weight
243.33
Exact mass
243.0718
XLogP
3.36
TPSA
29.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
68.69
Supplementary Information
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