Molecule

ID:16114

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-7(2,6-9)5-8(3)4/h6H,5H2,1-4H3
InChIKey
NYUOVICEZDPRBR-UHFFFAOYSA-N
Canonic Smiles
O=CC(CN(C)C)(C)C
Isomeric Smiles
C(C=O)(CN(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.3773818
LogD (pH = 7.4)
-0.8055896
Log P
0.8455498
Molar Refractivity
38.9222
Polarizability
15.222322
Polar Surface Area
20.31
Rotatable Bonds
3
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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