N#CC1(c2ccc(Br)cn2)CCC2(CC1)OCCO2
Name: 8-(5-bromopyridin-2-yl)-1,4-dioxaspiro[4,5]decane-8-carbonitrile
SMILES: N#CC1(c2ccc(Br)cn2)CCC2(CC1)OCCO2

Molecular Processing

Molecular formula
C14H15BrN2O2
Molecular weight
323.19
Exact mass
322.0317
XLogP
2.92
TPSA
55.14
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
72.33

Supplementary Information

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