CC(C)(C)C1=CCC(C)(C)c2cc(O)c(Br)cc21
SMILES: CC(C)(C)C1=CCC(C)(C)c2cc(O)c(Br)cc21

Molecular Processing

Molecular formula
C16H21BrO
Molecular weight
309.25
Exact mass
308.0776
XLogP
5.27
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
80.88

Supplementary Information

Details werden geladen…

An 8 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→