Molecule

ID:10008

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClO
Molecular Mass
190.62568
Exact Mass
190.01854252
Charge
0
InChI
InChI=1S/C11H7ClO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
NSNPSJGHTQIXDO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc2c1cccc2
Isomeric Smiles
C(=O)(c1c2c(ccc1)cccc2)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.153635
LogD (pH = 7.4)
3.153635
Log P
3.153635
Molar Refractivity
53.6229
Polarizability
21.593609
Polar Surface Area
17.07
Rotatable Bonds
1
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
References
Bioactivity
Navigation