Molecule

ID:52477

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO
Molecular Mass
156.60946
Exact Mass
156.03419259
Charge
0
InChI
InChI=1S/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3
InChIKey
VGISFWWEOGVMED-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccc(c1)OC
Isomeric Smiles
C(c1cc(ccc1)OC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4028165
LogD (pH = 7.4)
2.4028165
Log P
2.4028165
Molar Refractivity
42.3881
Polarizability
16.499487
Polar Surface Area
9.23
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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