Molecule

ID:33711

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂O₃
Molecular Mass
266.68034
Exact Mass
266.0458199
Charge
0
InChI
InChI=1S/C12H11ClN2O3/c1-18-11-3-2-8(12(16)17)4-9(11)6-15-7-10(13)5-14-15/h2-5,7H,6H2,1H3,(H,16,17)
InChIKey
ZXEXRYHAHMYZQW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cn1ncc(c1)Cl)C(=O)O
Isomeric Smiles
n1(ncc(c1)Cl)Cc1cc(C(=O)O)ccc1OC
Calculated Properties
JChem
Acid pKa
4.3291564
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0320277
LogD (pH = 7.4)
-0.7121903
Log P
2.2295353
Molar Refractivity
78.0982
Polarizability
25.318079
Polar Surface Area
64.35
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