SMILES:
CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2Cl)N=C(N)OCC1(F)FMolecular Processing
Molecular formula
C17H14Cl2F2N4O2
Molecular weight
415.23
Exact mass
414.0462
XLogP
3.84
TPSA
89.6
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
98.53
Supplementary Information
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