Molecule

ID:14555

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₂
Molecular Mass
240.68612
Exact Mass
240.06655535
Charge
0
InChI
InChI=1S/C11H12N2O2.ClH/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11(14)15;/h2-5H,6-7H2,1H3,(H,14,15);1H
InChIKey
ZUAZLXZWBKHAFW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCn1c(C)nc2c1cccc2.Cl
Isomeric Smiles
c12n(c(nc1cccc2)C)CCC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
4.476903
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.13581176
LogD (pH = 7.4)
-1.2531292
Log P
-0.08927616
Molar Refractivity
55.0899
Polarizability
22.436277
Polar Surface Area
55.12
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