Molecule

ID:24345

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃O
Molecular Mass
185.26666
Exact Mass
185.15281224
Charge
0
InChI
InChI=1S/C9H19N3O/c10-11-9(13)5-8-12-6-3-1-2-4-7-12/h1-8,10H2,(H,11,13)
InChIKey
KNZVTVVLCVUNHT-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCN1CCCCCC1
Isomeric Smiles
C(=O)(CCN1CCCCCC1)NN
Calculated Properties
JChem
Acid pKa
13.3543625
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.3662965
LogD (pH = 7.4)
-2.474527
Log P
0.096682
Molar Refractivity
53.8214
Polarizability
20.739687
Polar Surface Area
58.36
Rotatable Bonds
3
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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