Molecule

ID:84740

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClIO
Molecular Mass
296.53257
Exact Mass
295.94649062
Charge
0
InChI
InChI=1S/C9H10ClIO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7H2
InChIKey
HVVWUBWHLIPSCS-UHFFFAOYSA-N
Canonic Smiles
ICCCOc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)OCCCI
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7598417
LogD (pH = 7.4)
3.7598417
Log P
3.7598417
Molar Refractivity
59.7669
Polarizability
23.437553
Polar Surface Area
9.23
Rotatable Bonds
4
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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