Molecule

ID:117738

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅N₃O
Molecular Mass
239.3571
Exact Mass
239.19976244
Charge
0
InChI
InChI=1S/C13H25N3O/c17-13(12-4-2-1-3-5-12)15-8-11-16-9-6-14-7-10-16/h12,14H,1-11H2,(H,15,17)
InChIKey
OOJYUAZVGHSHRV-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCC1)NCCN1CCNCC1
Isomeric Smiles
C(=O)(NCCN1CCNCC1)C1CCCCC1
Calculated Properties
JChem
Acid pKa
16.173954
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.3426468
LogD (pH = 7.4)
-1.0251669
Log P
0.7896061
Molar Refractivity
69.3393
Polarizability
27.476744
Polar Surface Area
44.37
Rotatable Bonds
4
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