Molecule

ID:136758

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₄BBr
Molecular Mass
365.19896
Exact Mass
364.19369349
Charge
0
InChI
InChI=1S/C20H34BBr/c1-11-15-7-13(19(15,3)4)9-17(11)21(22)18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15-,16-,17-,18-/m1/s1
InChIKey
FKBAVEASVZAXFW-VMAIWCPRSA-N
Canonic Smiles
BrB([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
Isomeric Smiles
B([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.3049
LogD (pH = 7.4)
7.3049
Log P
7.3049
Molar Refractivity
94.1292
Polarizability
39.152264
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation