Molecule

ID:134723

General Information
Structure
MolImage
Molecular Formula
C₉H₉N
Molecular Mass
131.17446
Exact Mass
131.07349929
Charge
0
InChI
InChI=1S/C9H9N/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-2H3
InChIKey
DNJLFZHMJDSJFN-UHFFFAOYSA-N
Canonic Smiles
[C-]#[N+]c1c(C)cccc1C
Isomeric Smiles
Cc1cccc(c1[N+]#[C-])C
Calculated Properties
JChem
Acid pKa
16.623446
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.7263922
LogD (pH = 7.4)
0.7263922
Log P
0.7263922
Molar Refractivity
50.0218
Polarizability
16.085024
Polar Surface Area
4.36
Rotatable Bonds
0
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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