Molecule

ID:30279

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClN₂O₂
Molecular Mass
274.70234
Exact Mass
274.05090528
Charge
0
InChI
InChI=1S/C14H10N2O2.ClH/c17-14(18)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;/h1-8H,(H,15,16)(H,17,18);1H
InChIKey
YFZDNADEGQMTKD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1c1nc2c([nH]1)cccc2.Cl
Isomeric Smiles
c1(nc2c([nH]1)cccc2)c1c(C(=O)O)cccc1.Cl
Calculated Properties
JChem
Acid pKa
3.0204024
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.9695768
LogD (pH = 7.4)
-0.3768849
Log P
1.459403
Molar Refractivity
77.3263
Polarizability
27.260292
Polar Surface Area
65.98
Rotatable Bonds
2
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