CC(C#N)(Cn1nc2cc(Cl)cc(Cl)c2n1)NC(=S)c1ccc(C(F)(F)F)cc1
SMILES: CC(C#N)(Cn1nc2cc(Cl)cc(Cl)c2n1)NC(=S)c1ccc(C(F)(F)F)cc1

Molecular Processing

Molecular formula
C18H12Cl2F3N5S
Molecular weight
458.3
Exact mass
457.0143
XLogP
5
TPSA
66.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
107.85

Supplementary Information

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