SMILES:
O=C(NCc1ccc(F)cc1)C1(CCCCBr)c2ccccc2-c2ccccc21Molecular Processing
Molecular formula
C25H23BrFNO
Molecular weight
452.37
Exact mass
451.0947
XLogP
5.97
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
118.55
Supplementary Information
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