Molecule
ID:68172
General Information
Molecular Formula
C₁₀H₁₇NO
Molecular Mass
167.24808
Exact Mass
167.13101417
Charge
0
InChI
InChI=1S/C10H17NO/c12-10-6-3-7-11(8-10)9-4-1-2-5-9/h9H,1-8H2
InChIKey
GBWPGGCAYKOXKD-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN(C1)C1CCCC1
Isomeric Smiles
N1(CC(=O)CCC1)C1CCCC1
Calculated Properties
JChem
Acid pKa
18.599304
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.032840148
LogD (pH = 7.4)
1.4006904
Log P
1.5794832
Molar Refractivity
48.9323
Polarizability
19.28913
Polar Surface Area
20.31
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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