Molecule

ID:80471

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈INO
Molecular Mass
285.08109
Exact Mass
284.96506188
Charge
0
InChI
InChI=1S/C10H8INO/c1-7-9(11)10(12-13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
DDVPBKUHWSZYIP-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(c1I)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)c(c(o1)C)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.499371
LogD (pH = 7.4)
3.4993727
Log P
3.4993727
Molar Refractivity
60.7764
Polarizability
24.091476
Polar Surface Area
26.03
Rotatable Bonds
1
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
Molecule Details
References
Bioactivity
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