SMILES:
O=c1[nH]c2ccccc2n1CCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1Molecular Processing
Molecular formula
C22H23ClF3N3O2
Molecular weight
453.89
Exact mass
453.1431
XLogP
4.38
TPSA
61.26
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
113.2
Supplementary Information
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