Molecule

ID:24327

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-12-6-2-4-11-5-3-9(7-10)8-11/h9H,2-8,10H2,1H3
InChIKey
FURWGAXOMMXUJR-UHFFFAOYSA-N
Canonic Smiles
COCCCN1CCC(C1)CN
Isomeric Smiles
N1(CC(CC1)CN)CCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.7357383
LogD (pH = 7.4)
-4.780551
Log P
-0.5280797
Molar Refractivity
51.397
Polarizability
20.324642
Polar Surface Area
38.49
Rotatable Bonds
5
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
References
Bioactivity
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