Molecule

ID:24417

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₂
Molecular Mass
171.23678
Exact Mass
171.12592879
Charge
0
InChI
InChI=1S/C9H17NO2/c1-12-9(11)6-7-10-8-4-2-3-5-8/h8,10H,2-7H2,1H3
InChIKey
AHYUCALUVDREAN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNC1CCCC1
Isomeric Smiles
C(=O)(CCNC1CCCC1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1929388
LogD (pH = 7.4)
-1.4441757
Log P
1.0227135
Molar Refractivity
46.6597
Polarizability
18.871552
Polar Surface Area
38.33
Rotatable Bonds
5
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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