Molecule

ID:18094

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO
Molecular Mass
154.59358
Exact Mass
154.01854252
Charge
0
InChI
InChI=1S/C8H7ClO/c1-6-3-2-4-8(9)7(6)5-10/h2-5H,1H3
InChIKey
CCYFXIJPJFSTSU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)cccc1Cl
Isomeric Smiles
c1ccc(c(c1C)C=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8032143
LogD (pH = 7.4)
2.8032143
Log P
2.8032143
Molar Refractivity
42.488
Polarizability
15.868393
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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