Molecule

ID:33818

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O
Molecular Mass
140.18298
Exact Mass
140.09496301
Charge
0
InChI
InChI=1S/C7H12N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3-7H2
InChIKey
WXVKGHVDWWXBJX-UHFFFAOYSA-N
Canonic Smiles
N#CCCN1CCOCC1
Isomeric Smiles
N#CCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.41898745
LogD (pH = 7.4)
-0.25788048
Log P
-0.25538608
Molar Refractivity
38.8259
Polarizability
14.962807
Polar Surface Area
36.26
Rotatable Bonds
2
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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