Molecule

ID:1724

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClO
Molecular Mass
128.5563
Exact Mass
128.00289246
Charge
0
InChI
InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey
HORNXRXVQWOLPJ-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)Cl
Isomeric Smiles
Oc1cccc(Cl)c1
Calculated Properties
JChem
Acid pKa
8.794964
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2735064
LogD (pH = 7.4)
2.2566853
Log P
2.2737253
Molar Refractivity
32.8437
Polarizability
12.807266
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.35
LOG S
-0.94
Solubility (Water)
1.46e+01 g/l
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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