Molecule

ID:13398

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O
Molecular Mass
224.34246
Exact Mass
224.1888634
Charge
0
InChI
InChI=1S/C13H24N2O/c1-2-4-13(5-3-1)12-14-6-7-15-8-10-16-11-9-15/h1-2,13-14H,3-12H2
InChIKey
LTTZZFLHFAMTIU-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)CCNCC1CCC=CC1
Isomeric Smiles
C1=CCCC(C1)CNCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9103727
LogD (pH = 7.4)
-1.4345282
Log P
1.3596272
Molar Refractivity
68.6486
Polarizability
26.730122
Polar Surface Area
24.5
Rotatable Bonds
5
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