SMILES:
CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1ccc(F)c2ccccc12Molecular Processing
Molecular formula
C31H29ClFNO3
Molecular weight
518.03
Exact mass
517.182
XLogP
7.55
TPSA
66.4
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.226
Molar refractivity
145.88
Supplementary Information
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