BrCC1CCCCN1Cc1ccccc1
SMILES: BrCC1CCCCN1Cc1ccccc1

Molecular Processing

Molecular formula
C13H18BrN
Molecular weight
268.2
Exact mass
267.0623
XLogP
3.44
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
68.29

Supplementary Information

Details werden geladen…

An 21 Reaktionen beteiligt