Molecule

ID:92315

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO₂
Molecular Mass
170.59298
Exact Mass
170.01345714
Charge
0
InChI
InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKey
XRDRKVPNHIWTBX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)Cl
Isomeric Smiles
O=C(c1cc(ccc1)Cl)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5807674
LogD (pH = 7.4)
2.5807674
Log P
2.5807674
Molar Refractivity
42.8881
Polarizability
16.642757
Polar Surface Area
26.3
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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