이름: Compound ( 18 )
SMILES:
O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCc3cccc(CBr)c3)cc2)N1c1ccc(F)cc1Molecular Processing
Molecular formula
C32H28BrF2NO3
Molecular weight
592.48
Exact mass
591.1221
XLogP
7.66
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.219
Molar refractivity
150.56
Supplementary Information
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