Molecule

ID:62126

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₃
Molecular Mass
262.30432
Exact Mass
262.13174245
Charge
0
InChI
InChI=1S/C14H18N2O3/c1-10(17)16-8-7-15-13(9-16)11-3-5-12(6-4-11)14(18)19-2/h3-6,13,15H,7-9H2,1-2H3
InChIKey
IZNRNLNQYOMIPW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)C1NCCN(C1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CC(NCC1)c1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.76151764
LogD (pH = 7.4)
0.54454136
Log P
0.66885257
Molar Refractivity
71.3228
Polarizability
27.807356
Polar Surface Area
58.64
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