Name: 4-(2-Chloro-phenyl)-7-(2-imidazol-1-yl-1-phenyl-ethoxy)-8-phenethyl-chromen-2-one
SMILES:
O=c1cc(-c2ccccc2Cl)c2ccc(OC(Cn3ccnc3)c3ccccc3)c(CCc3ccccc3)c2o1Molecular Processing
Molecular formula
C34H27ClN2O3
Molecular weight
547.05
Exact mass
546.171
XLogP
7.92
TPSA
57.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
40
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
158.82
Supplementary Information
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