Molecule

ID:2001

General Information
Structure
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Molecular Formula
C₆H₅I
Molecular Mass
204.00837
Exact Mass
203.94359816
Charge
0
InChI
InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
InChIKey
SNHMUERNLJLMHN-UHFFFAOYSA-N
Canonic Smiles
Ic1ccccc1
Isomeric Smiles
Ic1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9021902
LogD (pH = 7.4)
2.9021902
Log P
2.9021902
Molar Refractivity
39.4205
Polarizability
15.444966
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.0
LOG S
-3.15
Solubility (Water)
1.45e-01 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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