Molecule

ID:70131

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁N
Molecular Mass
193.24384
Exact Mass
193.08914936
Charge
0
InChI
InChI=1S/C14H11N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10H2
InChIKey
HSZCNGTZJWZAMF-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)c1ccccc1
Isomeric Smiles
C(#N)Cc1ccc(cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.20356
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3161683
LogD (pH = 7.4)
3.3161683
Log P
3.3161683
Molar Refractivity
61.4811
Polarizability
24.950472
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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