Molecule

ID:19245

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₃
Molecular Mass
245.70264
Exact Mass
245.08187106
Charge
0
InChI
InChI=1S/C11H15NO3.ClH/c1-12(8-11(13)14)7-9-3-5-10(15-2)6-4-9;/h3-6H,7-8H2,1-2H3,(H,13,14);1H
InChIKey
SHAMFHMMQDMSEP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CN(CC(=O)O)C.Cl
Isomeric Smiles
C(=O)(CN(Cc1ccc(cc1)OC)C)O.Cl
Calculated Properties
JChem
Acid pKa
1.2367423
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4949535
LogD (pH = 7.4)
-1.4995556
Log P
-1.4949554
Molar Refractivity
57.1485
Polarizability
22.251696
Polar Surface Area
49.77
Rotatable Bonds
5
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