Molecule

ID:51903

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂INO
Molecular Mass
301.12355
Exact Mass
300.99636201
Charge
0
InChI
InChI=1S/C11H12INO/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h4-7H,1-3,8H2
InChIKey
OYDSTJMVOOOYDW-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)N1CCCCC1=O
Isomeric Smiles
N1(C(=O)CCCC1)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6755383
LogD (pH = 7.4)
2.6755383
Log P
2.6755383
Molar Refractivity
64.8957
Polarizability
25.122269
Polar Surface Area
20.31
Rotatable Bonds
1
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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