Molecule

ID:51449

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO
Molecular Mass
153.2215
Exact Mass
153.11536411
Charge
0
InChI
InChI=1S/C9H15NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h7-8,10H,1-6H2
InChIKey
VZTBFFGJFFYFRT-UHFFFAOYSA-N
Canonic Smiles
O=C1CCNC2C1CCCC2
Isomeric Smiles
N1CCC(=O)C2CCCCC12
Calculated Properties
JChem
Acid pKa
17.898241
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5288283
LogD (pH = 7.4)
0.15416509
Log P
1.2530113
Molar Refractivity
43.4849
Polarizability
17.446566
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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