CC(C)OC(=O)c1cc(NC(=O)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)O)c(F)cc1Cl
SMILES: CC(C)OC(=O)c1cc(NC(=O)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)O)c(F)cc1Cl

Molecular Processing

Molecular formula
C18H11Br4ClFNO5
Molecular weight
695.36
Exact mass
690.7043
XLogP
7.04
TPSA
92.7
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
124.12

Supplementary Information

Details werden geladen…

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