Molecule

ID:33887

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃ClN₂O₄
Molecular Mass
330.80712
Exact Mass
330.13463491
Charge
0
InChI
InChI=1S/C15H22N2O4.ClH/c1-19-12-8-10(9-13(20-2)14(12)21-3)15(18)17-6-4-11(16)5-7-17;/h8-9,11H,4-7,16H2,1-3H3;1H
InChIKey
YIDGGKKLCNDIEF-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1OC)OC)C(=O)N1CCC(CC1)N.Cl
Isomeric Smiles
C(=O)(c1cc(c(c(c1)OC)OC)OC)N1CCC(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.0084248
LogD (pH = 7.4)
-2.4394825
Log P
0.009402241
Molar Refractivity
79.7012
Polarizability
30.747938
Polar Surface Area
74.02
Rotatable Bonds
4
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