Molecule

ID:110351

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁N
Molecular Mass
205.25454
Exact Mass
205.08914936
Charge
0
InChI
InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H
InChIKey
VFOKYTYWXOYPOX-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C/c1ccccc1)/c1ccccc1
Isomeric Smiles
N#C/C(=C/c1ccccc1)/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0287895
LogD (pH = 7.4)
4.0287895
Log P
4.0287895
Molar Refractivity
66.4913
Polarizability
25.27316
Polar Surface Area
23.79
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
References
Bioactivity
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