Molecule

ID:8445

General Information
Structure
MolImage
Molecular Formula
C₉H₉N
Molecular Mass
131.17446
Exact Mass
131.07349929
Charge
0
InChI
InChI=1S/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H3
InChIKey
OWISXYQFTOYGRO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)C)C
Isomeric Smiles
C(#N)c1cc(C)c(C)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8561847
LogD (pH = 7.4)
2.8561847
Log P
2.8561847
Molar Refractivity
41.862
Polarizability
15.709695
Polar Surface Area
23.79
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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