Molecule
ID:52405
General Information
Molecular Formula
C₁₀H₁₁N
Molecular Mass
145.20104
Exact Mass
145.08914936
Charge
0
InChI
InChI=1S/C10H11N/c1-8-4-3-5-9(2)10(8)6-7-11/h3-5H,6H2,1-2H3
InChIKey
ABOLDLVTFQCAHP-UHFFFAOYSA-N
Canonic Smiles
N#CCc1c(C)cccc1C
Isomeric Smiles
c1(c(cccc1C)C)CC#N
Calculated Properties
JChem
Acid pKa
14.4616785
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6957858
LogD (pH = 7.4)
2.6957858
Log P
2.6957858
Molar Refractivity
46.4273
Polarizability
17.400652
Polar Surface Area
23.79
Rotatable Bonds
1
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
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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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