O=C(CCCBr)N1CCCC2CCCCC21
SMILES: O=C(CCCBr)N1CCCC2CCCCC21

Molecular Processing

Molecular formula
C13H22BrNO
Molecular weight
288.23
Exact mass
287.0885
XLogP
3.34
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
69.72

Supplementary Information

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