Molecule
ID:48285
General Information
Molecular Formula
C₈H₁₁BrN₂
Molecular Mass
215.09034
Exact Mass
214.01056036
Charge
0
InChI
InChI=1S/C8H11BrN2/c1-6-4-8(11(2)3)10-5-7(6)9/h4-5H,1-3H3
InChIKey
FEJQYAMMSIPZQS-UHFFFAOYSA-N
Canonic Smiles
CN(c1ncc(c(c1)C)Br)C
Isomeric Smiles
c1(ncc(c(c1)C)Br)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3723488
LogD (pH = 7.4)
2.732692
Log P
2.7402487
Molar Refractivity
51.3072
Polarizability
18.813978
Polar Surface Area
16.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...