Molecule
ID:20104
General Information
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10,14H2
InChIKey
DRHKVTPDSILGSR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCC1CCCCC1
Isomeric Smiles
O(c1ccc(N)cc1)CC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.952733
LogD (pH = 7.4)
3.0987089
Log P
3.100932
Molar Refractivity
62.9666
Polarizability
24.318594
Polar Surface Area
35.25
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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