Molecule

ID:88684

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-12-9-3-2-6-11-7-4-10-5-8-11/h10H,2-9H2,1H3
InChIKey
RCUHJBWDIITPIC-UHFFFAOYSA-N
Canonic Smiles
COCCCCN1CCNCC1
Isomeric Smiles
N1(CCCCOC)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.219975
LogD (pH = 7.4)
-1.86906
Log P
0.18458802
Molar Refractivity
51.297
Polarizability
20.324642
Polar Surface Area
24.5
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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