Molecule

ID:79581

General Information
Structure
Molecular Formula
C₈H₇ClO
Molecular Mass
154.59358
Exact Mass
154.01854252
Charge
0
InChI
InChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
VMZCDNSFRSVYKQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)Cc1ccccc1
Isomeric Smiles
O=C(Cc1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
15.349497
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1443238
LogD (pH = 7.4)
2.1443238
Log P
2.1443238
Molar Refractivity
41.2241
Polarizability
15.938035
Polar Surface Area
17.07
Rotatable Bonds
2
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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