Name: E1
SMILES:
O=c1ccc2ncc(F)c3c2n1CC3(F)CN1CCC(NCc2cc3c(cn2)OCCO3)CC1Molecular Processing
Molecular formula
C24H25F2N5O3
Molecular weight
469.49
Exact mass
469.1925
XLogP
2.13
TPSA
81.51
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
120.28
Supplementary Information
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