Molecule

ID:134455

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3
InChIKey
UWHSPZZUAYSGTB-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)N(CC)CC)CC
Isomeric Smiles
CCN(CC)C(=O)N(CC)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.95810205
LogD (pH = 7.4)
0.9581022
Log P
0.9581022
Molar Refractivity
51.7238
Polarizability
19.64936
Polar Surface Area
23.55
Rotatable Bonds
4
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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