Name: 2-(p-chlorophenyl)-5-[(3,4-dichlorophenyl)thio]pyrrole-3-carbonitrile
SMILES:
N#Cc1cc(Sc2ccc(Cl)c(Cl)c2)[nH]c1-c1ccc(Cl)cc1Molecular Processing
Molecular formula
C17H9Cl3N2S
Molecular weight
379.7
Exact mass
377.9552
XLogP
6.66
TPSA
39.58
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
96.54
Supplementary Information
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