Molecule

ID:111020

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂IN
Molecular Mass
285.12415
Exact Mass
285.00144739
Charge
0
InChI
InChI=1S/C11H12N.HI/c1-2-12-9-5-7-10-6-3-4-8-11(10)12;/h3-9H,2H2,1H3;1H/q+1;/p-1
InChIKey
PMYUGMDDIBOXQM-UHFFFAOYSA-M
Canonic Smiles
CC[n+]1cccc2c1cccc2.[I-]
Isomeric Smiles
[I-].CC[n+]1cccc2c1cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.8121091
LogD (pH = 7.4)
-1.8121091
Log P
-1.8121091
Molar Refractivity
51.1328
Polarizability
20.9358
Polar Surface Area
3.88
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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