SMILES:
O=C(CCc1ccccc1C(=O)O)Nc1cccc(C=Cc2nc(C3CCC3)cs2)c1Molecular Processing
Molecular formula
C25H24N2O3S
Molecular weight
432.55
Exact mass
432.1508
XLogP
5.85
TPSA
79.29
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
124.43
Supplementary Information
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