名称: 2-bromo-3,4-bis(decyloxy)-5-(benzothiazol-2-yl)-thiophene
SMILES:
CCCCCCCCCCOc1c(Br)sc(-c2nc3ccccc3s2)c1OCCCCCCCCCCMolecular Processing
Molecular formula
C31H46BrNO2S2
Molecular weight
608.75
Exact mass
607.2153
XLogP
11.83
TPSA
31.35
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
21
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.645
Molar refractivity
166.84
Supplementary Information
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