SMILES:
CC(C)NC(=N)c1c(O)nsc1Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1Molecular Processing
Molecular formula
C19H17Cl2FN4O2S
Molecular weight
455.34
Exact mass
454.0433
XLogP
6.15
TPSA
90.26
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
115.1
Supplementary Information
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