Name: ester
SMILES:
COC(=O)C(Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)NC(=O)c1cc(Cl)ccc1Nc1ccc(SC)cc1Molecular Processing
Molecular formula
C36H31ClN2O4S
Molecular weight
623.17
Exact mass
622.1693
XLogP
8.78
TPSA
76.66
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
44
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
178.33
Supplementary Information
Details werden geladen…
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