SMILES:
COc1ccc(C2C(CCC(O)c3ccc(OCc4ccc(CBr)cc4)cc3)C(=O)N2c2ccc(F)cc2)cc1Molecular Processing
Molecular formula
C33H31BrFNO4
Molecular weight
604.52
Exact mass
603.142
XLogP
7.53
TPSA
59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
40
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
0.242
Molar refractivity
157.15
Supplementary Information
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