Molecule

ID:74378

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-2-13-9(12)3-6-11-7-4-10-5-8-11/h10H,2-8H2,1H3
InChIKey
XCLNGVSHLDOGFR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCN1CCNCC1
Isomeric Smiles
N1CCN(CCC(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3086915
LogD (pH = 7.4)
-1.9757985
Log P
-0.12806083
Molar Refractivity
51.0452
Polarizability
20.40019
Polar Surface Area
41.57
Rotatable Bonds
5
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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