이름: 1
SMILES:
CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(C#CCO)c2)N=C1NMolecular Processing
Molecular formula
C20H17F2N3O3
Molecular weight
385.37
Exact mass
385.1238
XLogP
1.66
TPSA
88.15
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
98.65
Supplementary Information
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