Molecule

ID:71088

General Information
Structure
MolImage
Molecular Formula
C₇H₆INO₂
Molecular Mass
263.03251
Exact Mass
262.94432644
Charge
0
InChI
InChI=1S/C7H6INO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3
InChIKey
ITYQUGKRGXNQSC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ncccc1I
Isomeric Smiles
c1(c(cccn1)I)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8738376
LogD (pH = 7.4)
1.8738451
Log P
1.8738451
Molar Refractivity
48.9169
Polarizability
19.217422
Polar Surface Area
39.19
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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