Molecule

ID:91311

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆IN
Molecular Mass
289.15591
Exact Mass
289.03274752
Charge
0
InChI
InChI=1S/C11H16IN/c1-3-13(4-2)9-10-7-5-6-8-11(10)12/h5-8H,3-4,9H2,1-2H3
InChIKey
XQFQHCGPQLYBOG-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1ccccc1I)CC
Isomeric Smiles
N(Cc1c(cccc1)I)(CC)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7280335
LogD (pH = 7.4)
3.2889502
Log P
3.557203
Molar Refractivity
67.4604
Polarizability
26.047209
Polar Surface Area
3.24
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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