Molecule

ID:15401

General Information
Structure
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C7H15NO2/c8-3-5-9-6-7-2-1-4-10-7/h7H,1-6,8H2
InChIKey
VGFPQGITBRBQAN-UHFFFAOYSA-N
Canonic Smiles
NCCOCC1CCCO1
Isomeric Smiles
O1C(COCCN)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2369485
LogD (pH = 7.4)
-2.261254
Log P
-0.25384533
Molar Refractivity
39.217
Polarizability
15.811754
Polar Surface Area
44.48
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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