COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)NOCC(C)C)n2)c1F
SMILES: COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)NOCC(C)C)n2)c1F

Molecular Processing

Molecular formula
C17H18Cl2FN3O3
Molecular weight
402.25
Exact mass
401.0709
XLogP
4.1
TPSA
86.47
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
98.87

Supplementary Information

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