SMILES:
CN1CCCC1c1cncc(-c2ccc(F)cc2)c1.O=C(O)/C=C/C(=O)OMolecular Processing
Molecular formula
C20H21FN2O4
Molecular weight
372.4
Exact mass
372.1485
XLogP
3.37
TPSA
90.73
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
98.65
Supplementary Information
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