Molecule

ID:35876

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₃
Molecular Mass
287.78238
Exact Mass
287.12882125
Charge
0
InChI
InChI=1S/C14H21NO3.ClH/c1-4-17-14(16)9-13(15)11-5-7-12(8-6-11)18-10(2)3;/h5-8,10,13H,4,9,15H2,1-3H3;1H
InChIKey
RDNYHWFOGWMIIW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(c1ccc(cc1)OC(C)C)N.Cl
Isomeric Smiles
C(C(=O)OCC)C(c1ccc(OC(C)C)cc1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.863557
LogD (pH = 7.4)
0.55731016
Log P
1.9921911
Molar Refractivity
70.1339
Polarizability
28.021738
Polar Surface Area
61.55
Rotatable Bonds
7
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