SMILES:
COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1F)CCCC3Molecular Processing
Molecular formula
C25H27ClFNO3S
Molecular weight
476.01
Exact mass
475.1384
XLogP
6.97
TPSA
48.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
127
Supplementary Information
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