Molecule

ID:15514

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO
Molecular Mass
141.2108
Exact Mass
141.11536411
Charge
0
InChI
InChI=1S/C8H15NO/c1-2-7(1)9-8-3-5-10-6-4-8/h7-9H,1-6H2
InChIKey
DUIOGILHLJADHT-UHFFFAOYSA-N
Canonic Smiles
O1CCC(CC1)NC1CC1
Isomeric Smiles
N(C1CCOCC1)C1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.991252
LogD (pH = 7.4)
-2.3905342
Log P
0.23387216
Molar Refractivity
40.3801
Polarizability
16.22448
Polar Surface Area
21.26
Rotatable Bonds
2
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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