Molecule

ID:10692

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-4-8(5-2)6-7(3)9/h4-6H2,1-3H3
InChIKey
GDXMMBDEMOUTNS-UHFFFAOYSA-N
Canonic Smiles
CCN(CC(=O)C)CC
Isomeric Smiles
C(N(CC(=O)C)CC)C
Calculated Properties
JChem
Acid pKa
18.391998
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.7671651
LogD (pH = 7.4)
-0.001744026
Log P
0.7113942
Molar Refractivity
39.121
Polarizability
15.222322
Polar Surface Area
20.31
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
No Data Available
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Molecule Details
References
Bioactivity
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