Molecule

ID:69736

General Information
Structure
Molecular Formula
C₈H₇ClO
Molecular Mass
154.59358
Exact Mass
154.01854252
Charge
0
InChI
InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
InChIKey
ZDOYHCIRUPHUHN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccccc1Cl
Isomeric Smiles
C(=O)(C)c1c(cccc1)Cl
Calculated Properties
JChem
Acid pKa
15.599376
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.134938
LogD (pH = 7.4)
2.134938
Log P
2.134938
Molar Refractivity
41.2656
Polarizability
15.943058
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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