Molecule

ID:80645

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c1-8-10(11(12)15)7-13-14(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
VWZLNKSEPOXZKV-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cnn(c1C)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(c(cn1)C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4495206
LogD (pH = 7.4)
2.449538
Log P
2.4495382
Molar Refractivity
60.6841
Polarizability
22.919851
Polar Surface Area
34.89
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