Molecule

ID:12744

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₂
Molecular Mass
194.61438
Exact Mass
194.01345714
Charge
0
InChI
InChI=1S/C10H7ClO2/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3
InChIKey
QEULGCOIYWPYIL-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1oc2c(c1C)cccc2
Isomeric Smiles
c1ccc2c(c1)c(c(o2)C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7567043
LogD (pH = 7.4)
2.7567043
Log P
2.7567043
Molar Refractivity
50.9325
Polarizability
20.225254
Polar Surface Area
30.21
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