Molecule

ID:112487

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₃IN₂O
Molecular Mass
470.34599
Exact Mass
470.08551137
Charge
0
InChI
InChI=1S/C23H23N2O.HI/c1-3-24-19(17-16-18-10-5-6-12-20(18)24)11-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey
ZYHGRNUNHLNLTR-UHFFFAOYSA-M
Canonic Smiles
CCn1/c(=C\C=C\c2oc3c([n+]2CC)cccc3)/ccc2c1cccc2.[I-]
Isomeric Smiles
[I-].CCn1/c(=C\C=C\c2[n+](CC)c3c(o2)cccc3)/ccc2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6897988
LogD (pH = 7.4)
0.6899019
Log P
0.6899032
Molar Refractivity
121.7324
Polarizability
41.957436
Polar Surface Area
20.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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