Molecule

ID:50439

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₂
Molecular Mass
234.29422
Exact Mass
234.13682783
Charge
0
InChI
InChI=1S/C13H18N2O2/c1-17-12-4-2-3-11(9-12)10-15-8-7-14-6-5-13(15)16/h2-4,9,14H,5-8,10H2,1H3
InChIKey
GPPMZMQNUTVXQW-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CN1CCNCCC1=O
Isomeric Smiles
N1(C(=O)CCNCC1)Cc1cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9975823
LogD (pH = 7.4)
-0.26545736
Log P
0.557804
Molar Refractivity
66.1998
Polarizability
25.896032
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