SMILES:
CCCC(C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(CC)cc1)CCCC3Molecular Processing
Molecular formula
C25H29NO2S
Molecular weight
407.58
Exact mass
407.1919
XLogP
6.68
TPSA
50.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
121.1
Supplementary Information
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