Molecule

ID:33089

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO
Molecular Mass
155.23738
Exact Mass
155.13101417
Charge
0
InChI
InChI=1S/C9H17NO/c1-8-4-3-5-10(6-8)7-9(2)11/h8H,3-7H2,1-2H3
InChIKey
AIGVNAXQRMSJGZ-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)CC(=O)C
Isomeric Smiles
N1(CC(=O)C)CC(CCC1)C
Calculated Properties
JChem
Acid pKa
18.380447
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.4141805
LogD (pH = 7.4)
0.35991514
Log P
1.2131172
Molar Refractivity
46.2374
Polarizability
18.177366
Polar Surface Area
20.31
Rotatable Bonds
2
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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