이름: mixture
SMILES:
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC1CN(Cc2ccccc2)CC1OMolecular Processing
Molecular formula
C27H27FN4O3
Molecular weight
474.54
Exact mass
474.2067
XLogP
3.24
TPSA
97.46
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
132.15
Supplementary Information
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