SMILES:
CC12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCCC2C(=O)c1ccc(C(=O)O)s1Molecular Processing
Molecular formula
C24H21FN2O3S
Molecular weight
436.51
Exact mass
436.1257
XLogP
5.54
TPSA
72.19
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
116.65
Supplementary Information
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