Molecule

ID:69303

General Information
Structure
MolImage
Molecular Formula
C₈H₉IO
Molecular Mass
248.06093
Exact Mass
247.96981291
Charge
0
InChI
InChI=1S/C8H9IO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChIKey
GYUSTTSSRXDFKG-UHFFFAOYSA-N
Canonic Smiles
OCCc1ccc(cc1)I
Isomeric Smiles
C(Cc1ccc(cc1)I)O
Calculated Properties
JChem
Acid pKa
15.875822
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4235017
LogD (pH = 7.4)
2.4235017
Log P
2.4235017
Molar Refractivity
50.9914
Polarizability
19.690853
Polar Surface Area
20.23
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
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Molecule Details
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References
Bioactivity
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