Molecule
ID:11360
General Information
Molecular Formula
C₁₀H₂₁NO
Molecular Mass
171.27984
Exact Mass
171.1623143
Charge
0
InChI
InChI=1S/C10H21NO/c12-9-5-4-8-11-10-6-2-1-3-7-10/h10-12H,1-9H2
InChIKey
FLSWTQFQYDKATC-UHFFFAOYSA-N
Canonic Smiles
OCCCCNC1CCCCC1
Isomeric Smiles
N(C1CCCCC1)CCCCO
Calculated Properties
JChem
Acid pKa
15.97258
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7427915
LogD (pH = 7.4)
-1.4401621
Log P
1.4936124
Molar Refractivity
51.5099
Polarizability
20.570166
Polar Surface Area
32.26
Rotatable Bonds
5
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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