Molecule
ID:112472
General Information
Molecular Formula
C₁₀H₁₉NO
Molecular Mass
169.26396
Exact Mass
169.14666423
Charge
0
InChI
InChI=1S/C10H19NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10H,1-9H2
InChIKey
BRKHZWFIIVVNTA-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)N1CCOCC1
Isomeric Smiles
C1CCC(CC1)N1CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.1067963
LogD (pH = 7.4)
0.6439529
Log P
1.7709396
Molar Refractivity
50.0768
Polarizability
19.910645
Polar Surface Area
12.47
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
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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