Molecule

ID:50868

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO₂
Molecular Mass
170.59298
Exact Mass
170.01345714
Charge
0
InChI
InChI=1S/C8H7ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3
InChIKey
BZCOHGUBYSDFET-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1Cl
Isomeric Smiles
C(=O)c1cc(c(cc1)Cl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1321216
LogD (pH = 7.4)
2.1321216
Log P
2.1321216
Molar Refractivity
43.91
Polarizability
16.65668
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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