Molecule
ID:124542
General Information
Molecular Formula
C₉H₁₉N₃O
Molecular Mass
185.26666
Exact Mass
185.15281224
Charge
0
InChI
InChI=1S/C9H19N3O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h8H,1-7,10H2,(H2,11,12,13)
InChIKey
LTIKDZKOHCAGRM-UHFFFAOYSA-N
Canonic Smiles
NCCNC(=O)NC1CCCCC1
Isomeric Smiles
C(=O)(NC1CCCCC1)NCCN
Calculated Properties
JChem
Acid pKa
15.492374
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-2.8557215
LogD (pH = 7.4)
-1.6609378
Log P
0.08580499
Molar Refractivity
51.9
Polarizability
20.4521
Polar Surface Area
67.15
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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