Molecule

ID:38111

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-8-5-7(6-9)3-2-4-7/h8-9H,2-6H2,1H3
InChIKey
PFLUXSYXRSXOFJ-UHFFFAOYSA-N
Canonic Smiles
OCC1(CCC1)CNC
Isomeric Smiles
C1CCC1(CO)CNC
Calculated Properties
JChem
Acid pKa
15.071807
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.0894072
LogD (pH = 7.4)
-2.3856316
Log P
0.12949716
Molar Refractivity
37.4092
Polarizability
15.038956
Polar Surface Area
32.26
Rotatable Bonds
3
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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