Molecule

ID:17319

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-13-6-2-4-10(13)8-12-9-11-5-3-7-14-11/h2,4,6,11-12H,3,5,7-9H2,1H3
InChIKey
GZQMGHPPFDQVOY-UHFFFAOYSA-N
Canonic Smiles
Cn1cccc1CNCC1CCCO1
Isomeric Smiles
c1(n(ccc1)C)CNCC1CCCO1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7940818
LogD (pH = 7.4)
-0.23415564
Log P
1.1737449
Molar Refractivity
57.0937
Polarizability
22.332443
Polar Surface Area
26.19
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