Molecule

ID:17879

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-12-4-2-3-5-13(12)16-11-10-15-8-6-14-7-9-15/h2-5,14H,6-11H2,1H3
InChIKey
UYGHEEKXUMTKTR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OCCN1CCNCC1
Isomeric Smiles
c1(c(cccc1)C)OCCN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3547995
LogD (pH = 7.4)
-0.025993021
Log P
1.8117121
Molar Refractivity
66.3369
Polarizability
26.160423
Polar Surface Area
24.5
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