SMILES:
COC(=O)C1(Sc2cc(N=C=S)c(F)cc2Cl)CCC1Molecular Processing
Molecular formula
C13H11ClFNO2S2
Molecular weight
331.82
Exact mass
330.9904
XLogP
4.4
TPSA
38.66
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
80.55
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→