SMILES:
COc1ccc(C(C#N)(CCCN2CCc3cc(O)c(O)cc3C2C)Sc2ccc(C)cc2)cc1OCMolecular Processing
Molecular formula
C30H34N2O4S
Molecular weight
518.68
Exact mass
518.2239
XLogP
6.33
TPSA
85.95
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
146.57
Supplementary Information
Details werden geladen…
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