Molecule

ID:77814

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₂
Molecular Mass
234.29422
Exact Mass
234.13682783
Charge
0
InChI
InChI=1S/C13H18N2O2/c1-11-9-14-7-8-15(11)13(16)17-10-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3
InChIKey
KKBYAYOFCRJQQT-UHFFFAOYSA-N
Canonic Smiles
CC1CNCCN1C(=O)OCc1ccccc1
Isomeric Smiles
N1(C(=O)OCc2ccccc2)CCNCC1C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7366606
LogD (pH = 7.4)
0.9921249
Log P
1.6414747
Molar Refractivity
65.6697
Polarizability
25.9112
Polar Surface Area
41.57
Rotatable Bonds
3
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