Molecule

ID:69385

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2
InChIKey
PTHDBHDZSMGHKF-UHFFFAOYSA-N
Canonic Smiles
OCCC1CCCCN1
Isomeric Smiles
N1C(CCCC1)CCO
Calculated Properties
JChem
Acid pKa
15.924531
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1343083
LogD (pH = 7.4)
-2.4691408
Log P
0.08711246
Molar Refractivity
37.6633
Polarizability
15.038956
Polar Surface Area
32.26
Rotatable Bonds
2
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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