Molecule

ID:58977

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3
InChIKey
UGXQXVDTGJCQHR-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCN(C1)C
Isomeric Smiles
N1(CC(CO)CCC1)C
Calculated Properties
JChem
Acid pKa
15.43148
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3373482
LogD (pH = 7.4)
-1.9548533
Log P
0.010386534
Molar Refractivity
38.4316
Polarizability
15.038956
Polar Surface Area
23.47
Rotatable Bonds
1
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
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References
Bioactivity
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