Molecule

ID:33864

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₃
Molecular Mass
238.28292
Exact Mass
238.13174245
Charge
0
InChI
InChI=1S/C12H18N2O3/c1-8-11(9(2)17-13-8)7-14-5-3-4-10(6-14)12(15)16/h10H,3-7H2,1-2H3,(H,15,16)
InChIKey
HTSNWUAWTYXXEZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)Cc1c(C)noc1C
Isomeric Smiles
c1(c(onc1C)C)CN1CC(C(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
3.5807674
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8898214
LogD (pH = 7.4)
-1.9016284
Log P
-1.8873228
Molar Refractivity
64.0118
Polarizability
24.084621
Polar Surface Area
66.57
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