Molecule

ID:112211

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₄N₂O₂
Molecular Mass
298.46406
Exact Mass
298.26202834
Charge
0
InChI
InChI=1S/C17H34N2O2/c20-14-12-18-8-4-16(5-9-18)2-1-3-17-6-10-19(11-7-17)13-15-21/h16-17,20-21H,1-15H2
InChIKey
VSSGEWPIFHKREK-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCC(CC1)CCCC1CCN(CC1)CCO
Isomeric Smiles
OCCN1CCC(CCCC2CCN(CCO)CC2)CC1
Calculated Properties
JChem
Acid pKa
15.292226
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.3325343
LogD (pH = 7.4)
-2.3692064
Log P
1.2557482
Molar Refractivity
88.7408
Polarizability
34.875805
Polar Surface Area
46.94
Rotatable Bonds
8
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
References
Bioactivity
Navigation