Molecule

ID:28352

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O
Molecular Mass
214.26306
Exact Mass
214.11061308
Charge
0
InChI
InChI=1S/C13H14N2O/c14-11-4-3-6-13(10-11)16-9-7-12-5-1-2-8-15-12/h1-6,8,10H,7,9,14H2
InChIKey
ZZHXSWXYAZSCBK-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)OCCc1ccccn1
Isomeric Smiles
n1c(CCOc2cc(N)ccc2)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6141179
LogD (pH = 7.4)
1.8087987
Log P
1.8119339
Molar Refractivity
63.8545
Polarizability
24.453041
Polar Surface Area
48.14
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