CC1C(C(C)(C)O)CCN1c1ccc(C#N)c(Br)c1
SMILES: CC1C(C(C)(C)O)CCN1c1ccc(C#N)c(Br)c1

Molecular Processing

Molecular formula
C15H19BrN2O
Molecular weight
323.23
Exact mass
322.0681
XLogP
3.31
TPSA
47.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
80.07

Supplementary Information

Fetching details…

Involved in 1 reactions→

Extended Search

Substructure Search→Similarity Search→