Molecule

ID:31403

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂
Molecular Mass
236.3101
Exact Mass
236.15247789
Charge
0
InChI
InChI=1S/C13H20N2O2/c1-11-9-13(10-16)12(2)15(11)4-3-14-5-7-17-8-6-14/h9-10H,3-8H2,1-2H3
InChIKey
QWLYDRSDAWRCRH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)CCN1CCOCC1)C
Isomeric Smiles
n1(c(c(cc1C)C=O)C)CCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.19125573
LogD (pH = 7.4)
1.1421413
Log P
1.188575
Molar Refractivity
69.6905
Polarizability
25.921173
Polar Surface Area
34.47
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation