Molecule

ID:118325

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c14-7-4-8-15-9-10-16-13(11-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2
InChIKey
XBVJKHBMRMYZDU-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCOC(C1)c1ccccc1
Isomeric Smiles
N1(CC(OCC1)c1ccccc1)CCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.027828
LogD (pH = 7.4)
-1.6116902
Log P
1.0188851
Molar Refractivity
66.1606
Polarizability
26.249113
Polar Surface Area
38.49
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