Molecule

ID:78002

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClO
Molecular Mass
190.62568
Exact Mass
190.01854252
Charge
0
InChI
InChI=1S/C11H7ClO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey
XNLBCXGRQWUJLU-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc2c(c1)cccc2
Isomeric Smiles
O=C(c1ccc2c(c1)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
21.590569
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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