CN1CCN(C(=O)Nc2cc(F)ccc2N2CCc3ccccc32)CC1.O=C(O)/C=C\C(=O)O
名称: 1f
SMILES: CN1CCN(C(=O)Nc2cc(F)ccc2N2CCc3ccccc32)CC1.O=C(O)/C=C\C(=O)O

Molecular Processing

Molecular formula
C24H27FN4O5
Molecular weight
470.5
Exact mass
470.1965
XLogP
3.01
TPSA
113.42
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.292
Molar refractivity
126.05

Supplementary Information

No supplementary data available

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