Molecule

ID:18088

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-3-4-9-5-6-10-7-8(9)2/h5-7H,3-4H2,1-2H3
InChIKey
BEBMSCLUBWVGGA-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccncc1C
Isomeric Smiles
c1cncc(c1CCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0680823
LogD (pH = 7.4)
2.6471677
Log P
2.6715536
Molar Refractivity
43.1855
Polarizability
16.666481
Polar Surface Area
12.89
Rotatable Bonds
2
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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