Molecule

ID:71576

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-6(2)5-7(9)8(3)4/h6H,5H2,1-4H3
InChIKey
LVQDLURAEDSMES-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)N(C)C)C
Isomeric Smiles
C(=O)(N(C)C)CC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8491868
LogD (pH = 7.4)
0.8491874
Log P
0.84918743
Molar Refractivity
38.0358
Polarizability
14.829458
Polar Surface Area
20.31
Rotatable Bonds
2
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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