COc1c(C(C#N)C2CC2)ncc(F)c1OC(C)(C)C
SMILES: COc1c(C(C#N)C2CC2)ncc(F)c1OC(C)(C)C

Molecular Processing

Molecular formula
C15H19FN2O2
Molecular weight
278.33
Exact mass
278.1431
XLogP
3.42
TPSA
55.14
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
72.21

Supplementary Information

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