الاسم: 3-[(dipropylamino)carbonyl]-5-(3-thienyl)benzoic acid
SMILES:
CCCN(CCC)C(=O)c1cc(C(=O)O)cc(-c2ccsc2)c1Molecular Processing
Molecular formula
C18H21NO3S
Molecular weight
331.44
Exact mass
331.1242
XLogP
4.38
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
93.2
Supplementary Information
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