Molecule

ID:81073

General Information
Structure
Molecular Formula
C₁₄H₁₁ClN₂O
Molecular Mass
258.70294
Exact Mass
258.05599066
Charge
0
InChI
InChI=1S/C14H11ClN2O/c1-18-11-8-6-10(7-9-11)17-14(15)12-4-2-3-5-13(12)16-17/h2-9H,1H3
InChIKey
BGFPONYYROEFGW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)n1nc2c(c1Cl)cccc2
Isomeric Smiles
n1(c2ccc(cc2)OC)c(c2ccccc2n1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.595772
LogD (pH = 7.4)
3.5957754
Log P
3.5957754
Molar Refractivity
71.767
Polarizability
29.364801
Polar Surface Area
27.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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