Molecule
ID:28892
General Information
Molecular Formula
C₁₂H₁₉N
Molecular Mass
177.28596
Exact Mass
177.15174961
Charge
0
InChI
InChI=1S/C12H19N/c1-5-6-13-12-10(3)7-9(2)8-11(12)4/h7-8,13H,5-6H2,1-4H3
InChIKey
IXYNECJLLRUEFZ-UHFFFAOYSA-N
Canonic Smiles
CCCNc1c(C)cc(cc1C)C
Isomeric Smiles
c1(c(cc(cc1C)C)C)NCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.645755
LogD (pH = 7.4)
3.8620234
Log P
3.8656185
Molar Refractivity
60.648
Polarizability
22.33387
Polar Surface Area
12.03
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
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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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