Molecule

ID:79974

General Information
Structure
MolImage
Molecular Formula
C₂₃H₅₀INO
Molecular Mass
483.55367
Exact Mass
483.29371323
Charge
0
InChI
InChI=1S/C23H50NO.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)21-22-24(2,3)4;/h23,25H,5-22H2,1-4H3;1H/q+1;/p-1
InChIKey
AMSHDXTYKAWKGG-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCCCCCCC(CC[N+](C)(C)C)O.[I-]
Isomeric Smiles
[N+](CCC(O)CCCCCCCCCCCCCCCCC)(C)(C)C.[I-]
Calculated Properties
JChem
Acid pKa
15.069813
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.005318
LogD (pH = 7.4)
3.0053182
Log P
3.005318
Molar Refractivity
125.0172
Polarizability
45.232704
Polar Surface Area
20.23
Rotatable Bonds
19
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