Molecule

ID:74380

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-2-8-12-9-7-11-5-3-10-4-6-11/h10H,2-9H2,1H3
InChIKey
APOQIEHTCZYMIW-UHFFFAOYSA-N
Canonic Smiles
CCCOCCN1CCNCC1
Isomeric Smiles
N1(CCOCCC)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7234778
LogD (pH = 7.4)
-1.3827552
Log P
0.48659596
Molar Refractivity
51.0596
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
No Data Available
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Molecule Details
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References
Bioactivity
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