Molecule

ID:31706

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-3-9(2,8-10)11-4-6-12-7-5-11/h3-8,10H2,1-2H3
InChIKey
RNGALZNABGSEIF-UHFFFAOYSA-N
Canonic Smiles
CCC(N1CCOCC1)(CN)C
Isomeric Smiles
N1(C(CN)(CC)C)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3369684
LogD (pH = 7.4)
-1.6514564
Log P
0.3943593
Molar Refractivity
50.5934
Polarizability
20.324642
Polar Surface Area
38.49
Rotatable Bonds
3
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
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References
Bioactivity
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