COc1ccc(CN2OC(c3cc(Cl)ccc3F)=CC2(C)c2ccccc2)c(OC)c1
SMILES: COc1ccc(CN2OC(c3cc(Cl)ccc3F)=CC2(C)c2ccccc2)c(OC)c1

Molecular Processing

Molecular formula
C25H23ClFNO3
Molecular weight
439.91
Exact mass
439.135
XLogP
6.2
TPSA
30.93
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
119.36

Supplementary Information

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