Molecule

ID:108069

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₃IN₂
Molecular Mass
454.34659
Exact Mass
454.09059675
Charge
0
InChI
InChI=1S/C23H23N2.HI/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey
GMYRVMSXMHEDTL-UHFFFAOYSA-M
Canonic Smiles
CC[n+]1c(ccc2c1cccc2)/C=c\1/ccc2c(n1CC)cccc2.[I-]
Isomeric Smiles
[I-].CCn1/c(=C\c2ccc3ccccc3[n+]2CC)/ccc2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6050411
LogD (pH = 7.4)
0.60504234
Log P
0.60504234
Molar Refractivity
109.5168
Polarizability
41.70084
Polar Surface Area
7.12
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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