Molecule

ID:8455

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6,10H2,1-2H3
InChIKey
UKLRWOHZBISUMI-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1C)C
Isomeric Smiles
c1ccc(c(c1CN)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8680412
LogD (pH = 7.4)
0.019893609
Log P
2.125857
Molar Refractivity
44.6138
Polarizability
17.279362
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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