Molecule
ID:79697
General Information
Molecular Formula
C₁₃H₇IO
Molecular Mass
306.09855
Exact Mass
305.95416284
Charge
0
InChI
InChI=1S/C13H7IO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
InChIKey
VRRWYZJLVCUFPU-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)C(=O)c1c2cccc1
Isomeric Smiles
O=C1c2c(ccc(c2)I)c2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.035523
LogD (pH = 7.4)
4.035523
Log P
4.035523
Molar Refractivity
69.0742
Polarizability
27.55005
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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