CC1(c2cc(NC(=O)c3cnc(Cl)cn3)ccc2F)N=C(N)OCC1(F)F
SMILES: CC1(c2cc(NC(=O)c3cnc(Cl)cn3)ccc2F)N=C(N)OCC1(F)F

Molecular Processing

Molecular formula
C16H13ClF3N5O2
Molecular weight
399.76
Exact mass
399.071
XLogP
2.72
TPSA
102.49
H-bond donors
2
H-bond acceptors
6
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
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
91.27

Supplementary Information

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