Molecule

ID:113492

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClN₂O
Molecular Mass
270.71364
Exact Mass
270.05599066
Charge
0
InChI
InChI=1S/C15H11ClN2O/c16-12-7-5-11(6-8-12)9-18-14-4-2-1-3-13(14)17-15(18)10-19/h1-8,10H,9H2
InChIKey
DJARYSVCFCLLKW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nc2c(n1Cc1ccc(cc1)Cl)cccc2
Isomeric Smiles
n1(c(nc2c1cccc2)C=O)Cc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.188864
LogD (pH = 7.4)
4.1904182
Log P
4.190438
Molar Refractivity
75.3306
Polarizability
29.76871
Polar Surface Area
34.89
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