이름: 2-(4-bromo-phenyl)-4-(2-[1,3]dithian-2-yl-ethyl)-5-methyl-oxazole
SMILES:
Cc1oc(-c2ccc(Br)cc2)nc1CCC1SCCCS1Molecular Processing
Molecular formula
C16H18BrNOS2
Molecular weight
384.36
Exact mass
383.0013
XLogP
5.54
TPSA
26.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
96.02
Supplementary Information
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