CC1(c2cc(NC(=O)c3ncc(F)cc3Cl)ccc2F)N=C(N)OCC1(F)F
SMILES: CC1(c2cc(NC(=O)c3ncc(F)cc3Cl)ccc2F)N=C(N)OCC1(F)F

Molecular Processing

Molecular formula
C17H13ClF4N4O2
Molecular weight
416.76
Exact mass
416.0663
XLogP
3.46
TPSA
89.6
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
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
0.235
Molar refractivity
93.43

Supplementary Information

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