Name: N-[4-(4-nitrophenyl)butanoyl]thiazolidine
SMILES:
O=C(CCCc1ccc([N+](=O)[O-])cc1)N1CCSC1Molecular Processing
Molecular formula
C13H16N2O3S
Molecular weight
280.35
Exact mass
280.0882
XLogP
2.45
TPSA
63.45
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
75.07
Supplementary Information
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