Molecule

ID:13552

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O₃
Molecular Mass
268.35196
Exact Mass
268.17869264
Charge
0
InChI
InChI=1S/C14H24N2O3/c1-16(2)7-6-15-10-11-8-12(17-3)14(19-5)13(9-11)18-4/h8-9,15H,6-7,10H2,1-5H3
InChIKey
MIOQNCSZYODKSU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCCN(C)C)cc(c1OC)OC
Isomeric Smiles
c1(c(c(cc(c1)CNCCN(C)C)OC)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.1797125
LogD (pH = 7.4)
-0.67736936
Log P
1.0772253
Molar Refractivity
76.7147
Polarizability
30.139425
Polar Surface Area
42.96
Rotatable Bonds
8
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