Molecule

ID:69725

General Information
Structure
MolImage
Molecular Formula
C₉H₉N
Molecular Mass
131.17446
Exact Mass
131.07349929
Charge
0
InChI
InChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3
InChIKey
RNHKXHKUKJXLAU-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)C
Isomeric Smiles
C(c1ccc(cc1)C)C#N
Calculated Properties
JChem
Acid pKa
14.488612
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1823645
LogD (pH = 7.4)
2.1823642
Log P
2.1823645
Molar Refractivity
41.3861
Polarizability
15.634075
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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