Molecule

ID:48655

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrN₂
Molecular Mass
255.1542
Exact Mass
254.04186049
Charge
0
InChI
InChI=1S/C11H15BrN2/c1-9-4-6-14(7-5-9)11-3-2-10(12)8-13-11/h2-3,8-9H,4-7H2,1H3
InChIKey
FGPJEESWOCDESV-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1ccc(cn1)Br
Isomeric Smiles
N1(c2ncc(cc2)Br)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3079321
LogD (pH = 7.4)
3.3634534
Log P
3.3642125
Molar Refractivity
62.9566
Polarizability
23.640577
Polar Surface Area
16.13
Rotatable Bonds
1
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