Molecule

ID:68653

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-8-5-3-2-4-7(8)6-9/h7,9H,2-6H2,1H3
InChIKey
HXXJMMLIEYAFOZ-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCCN1C
Isomeric Smiles
N1(C(CCCC1)CO)C
Calculated Properties
JChem
Acid pKa
15.113306
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9638376
LogD (pH = 7.4)
-1.646488
Log P
0.41020066
Molar Refractivity
38.0926
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
References
Bioactivity
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