Molecule

ID:15737

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c13-10(12-7-1-2-8-12)9-3-5-11-6-4-9/h9,11H,1-8H2
InChIKey
JQCRUYLUQJNZIC-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1)C1CCNCC1
Isomeric Smiles
C1CN(CC1)C(=O)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2995322
LogD (pH = 7.4)
-2.7150962
Log P
-0.07356084
Molar Refractivity
52.2319
Polarizability
20.424976
Polar Surface Area
32.34
Rotatable Bonds
1
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