Molecule

ID:56083

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀BrN
Molecular Mass
200.0757
Exact Mass
198.99966133
Charge
0
InChI
InChI=1S/C8H10BrN/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,10H2,1-2H3
InChIKey
OGBPXDJLNYCSJH-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(C)c(c(c1)C)Br
Isomeric Smiles
c1(cc(c(c(c1)C)Br)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9065218
LogD (pH = 7.4)
2.9394784
Log P
2.9399152
Molar Refractivity
48.4636
Polarizability
17.75396
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
暂无数据
点击上传数据
References
Bioactivity
Navigation