Molecule

ID:75841

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClO
Molecular Mass
140.567
Exact Mass
140.00289246
Charge
0
InChI
InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H
InChIKey
FPYUJUBAXZAQNL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Cl
Isomeric Smiles
O=Cc1c(cccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2897928
LogD (pH = 7.4)
2.2897928
Log P
2.2897928
Molar Refractivity
37.4468
Polarizability
14.106667
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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