Molecule

ID:16953

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKey
OSFLFWJEDYTKEX-UHFFFAOYSA-N
Canonic Smiles
O=C1CNCCN1C1CCCCC1
Isomeric Smiles
C1(N2C(=O)CNCC2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0015309
LogD (pH = 7.4)
0.39252493
Log P
0.55325997
Molar Refractivity
51.4388
Polarizability
20.424976
Polar Surface Area
32.34
Rotatable Bonds
1
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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