Molecule

ID:13992

General Information
Structure
Molecular Formula
C₁₃H₁₈N₂O₂
Molecular Mass
234.29422
Exact Mass
234.13682783
Charge
0
InChI
InChI=1S/C13H18N2O2/c14-11-8-9(13(16)17)6-7-12(11)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5,14H2,(H,16,17)
InChIKey
UKGXJCYVYQRBSB-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1NC1CCCCC1)C(=O)O
Isomeric Smiles
c1(NC2CCCCC2)c(cc(cc1)C(=O)O)N
Calculated Properties
JChem
Acid pKa
3.4957805
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.5430517
LogD (pH = 7.4)
0.090294614
Log P
1.6576434
Molar Refractivity
69.2226
Polarizability
25.255787
Polar Surface Area
75.35
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