이름: (R)-2-(4-cyano-2,3-difluorophenylamino)-4-methylpentanamide
SMILES:
CC(C)C[C@@H](Nc1ccc(C#N)c(F)c1F)C(N)=OMolecular Processing
Molecular formula
C13H15F2N3O
Molecular weight
267.28
Exact mass
267.1183
XLogP
2.15
TPSA
78.91
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
67.13
Supplementary Information
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