Molecule

ID:80377

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-7(9)5-4-6-8(2)3/h4-6H2,1-3H3
InChIKey
HCRLXYVAWDRFBV-UHFFFAOYSA-N
Canonic Smiles
CN(CCCC(=O)C)C
Isomeric Smiles
O=C(CCCN(C)C)C
Calculated Properties
JChem
Acid pKa
19.011036
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.7011468
LogD (pH = 7.4)
-1.1310924
Log P
0.5234522
Molar Refractivity
39.078197
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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