SMILES:
COc1ccc(-c2sc3cc(OC)ccc3c2Oc2ccc(/C=C/c3c[nH]cn3)cc2)cc1Molecular Processing
Molecular formula
C27H22N2O3S
Molecular weight
454.55
Exact mass
454.1351
XLogP
7.27
TPSA
56.37
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.074
Molar refractivity
134.4
Supplementary Information
Details werden geladen…
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