O=C1C2CC(O)CN2C(=O)N1c1cc(NS(=O)(=O)CCl)c(Cl)cc1F
SMILES: O=C1C2CC(O)CN2C(=O)N1c1cc(NS(=O)(=O)CCl)c(Cl)cc1F

Molecular Processing

Molecular formula
C13H12Cl2FN3O5S
Molecular weight
412.23
Exact mass
410.9859
XLogP
1.32
TPSA
107.02
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
88.67

Supplementary Information

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