Molecule

ID:69716

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N
Molecular Mass
141.16928
Exact Mass
141.05784923
Charge
0
InChI
InChI=1S/C10H7N/c1-2-9-3-5-10(6-4-9)7-8-11/h1,3-6H,7H2
InChIKey
CZUBOLAETAAHLA-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)C#C
Isomeric Smiles
C(#N)Cc1ccc(cc1)C#C
Calculated Properties
JChem
Acid pKa
14.253496
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8197782
LogD (pH = 7.4)
1.8197782
Log P
1.8197782
Molar Refractivity
41.5172
Polarizability
16.44294
Polar Surface Area
23.79
Rotatable Bonds
1
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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