Molecule
ID:57418
General Information
Molecular Formula
C₉H₁₉NO
Molecular Mass
157.25326
Exact Mass
157.14666423
Charge
0
InChI
InChI=1S/C9H19NO/c1-8(9(2)11)10-6-4-3-5-7-10/h8-9,11H,3-7H2,1-2H3
InChIKey
ZLGJKFMVCXTIPS-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCCCC1)C(O)C
Isomeric Smiles
N1(C(C(O)C)C)CCCCC1
Calculated Properties
JChem
Acid pKa
14.922105
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2749913
LogD (pH = 7.4)
-1.353571
Log P
1.1835836
Molar Refractivity
47.26
Polarizability
18.725828
Polar Surface Area
23.47
Rotatable Bonds
2
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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