Molecule

ID:112181

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O
Molecular Mass
168.23614
Exact Mass
168.12626314
Charge
0
InChI
InChI=1S/C9H16N2O/c10-4-2-1-3-5-11-6-8-12-9-7-11/h1-3,5-9H2
InChIKey
WTUXHXRBJCBHNP-UHFFFAOYSA-N
Canonic Smiles
N#CCCCCN1CCOCC1
Isomeric Smiles
N#CCCCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.4619652
LogD (pH = 7.4)
0.15289609
Log P
0.4778438
Molar Refractivity
48.1819
Polarizability
18.639002
Polar Surface Area
36.26
Rotatable Bonds
4
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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