Molecule

ID:8549

General Information
Structure
Molecular Formula
C₁₄H₁₁N
Molecular Mass
193.24384
Exact Mass
193.08914936
Charge
0
InChI
InChI=1S/C14H11N/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9H,10H2
InChIKey
WVYPDPJNPRIPPW-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccccc1c1ccccc1
Isomeric Smiles
c1cc(c(cc1)c1ccccc1)CC#N
Calculated Properties
JChem
Acid pKa
13.848712
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3161683
LogD (pH = 7.4)
3.316168
Log P
3.3161683
Molar Refractivity
61.4811
Polarizability
24.951584
Polar Surface Area
23.79
Rotatable Bonds
2
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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