Molecule
ID:59173
General Information
Molecular Formula
C₉H₁₇NO₂
Molecular Mass
171.23678
Exact Mass
171.12592879
Charge
0
InChI
InChI=1S/C9H17NO2/c1-8(7-9(11)12-2)10-5-3-4-6-10/h8H,3-7H2,1-2H3
InChIKey
CLIFHFGCXTXFLR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(N1CCCC1)C
Isomeric Smiles
C(C(=O)OC)C(N1CCCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.5088458
LogD (pH = 7.4)
-1.2151167
Log P
0.87343204
Molar Refractivity
47.501
Polarizability
18.871552
Polar Surface Area
29.54
Rotatable Bonds
4
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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