Molecule

ID:119390

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅IN₂
Molecular Mass
362.20817
Exact Mass
362.02799649
Charge
0
InChI
InChI=1S/C16H14N2.HI/c1-18-10-8-13(9-11-18)6-7-14-12-17-16-5-3-2-4-15(14)16;/h2-12H,1H3;1H
InChIKey
UURAKYSOOXPORG-UHFFFAOYSA-N
Canonic Smiles
C[n+]1ccc(cc1)/C=C/c1c[nH]c2c1cccc2.[I-]
Isomeric Smiles
[n+]1(ccc(/C=C/c2c[nH]c3c2cccc3)cc1)C.[I-]
Calculated Properties
JChem
Acid pKa
16.335327
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
-0.74919194
LogD (pH = 7.4)
-0.74919194
Log P
-0.74919194
Molar Refractivity
76.5978
Polarizability
29.974464
Polar Surface Area
19.67
Rotatable Bonds
2
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
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References
Bioactivity
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