Molecule
ID:112528
General Information
Molecular Formula
C₁₀H₁₃N
Molecular Mass
147.21692
Exact Mass
147.10479942
Charge
0
InChI
InChI=1S/C10H13N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-9H,2-3H2,1H3
InChIKey
LPXPSTWBTULMJE-UHFFFAOYSA-N
Canonic Smiles
CCC/C=N/c1ccccc1
Isomeric Smiles
CCC/C=N/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.699439
LogD (pH = 7.4)
2.9211626
Log P
2.924901
Molar Refractivity
49.6918
Polarizability
18.451204
Polar Surface Area
12.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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