Molecule

ID:24451

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-10-5-3-6-11-8-9-4-2-7-12-9/h9-11H,2-8H2,1H3
InChIKey
TVVSDOKIXYZOIS-UHFFFAOYSA-N
Canonic Smiles
CNCCCNCC1CCCO1
Isomeric Smiles
O1C(CNCCCNC)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.945665
LogD (pH = 7.4)
-3.9070716
Log P
-0.07873312
Molar Refractivity
50.5379
Polarizability
20.324642
Polar Surface Area
33.29
Rotatable Bonds
6
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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