Molecule

ID:24353

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃O
Molecular Mass
185.26666
Exact Mass
185.15281224
Charge
0
InChI
InChI=1S/C9H19N3O/c1-8-2-5-12(6-3-8)7-4-9(13)11-10/h8H,2-7,10H2,1H3,(H,11,13)
InChIKey
OAVRRDMTPUMOED-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCN1CCC(CC1)C
Isomeric Smiles
N1(CCC(=O)NN)CCC(CC1)C
Calculated Properties
JChem
Acid pKa
13.353984
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4823966
LogD (pH = 7.4)
-2.3276265
Log P
-0.060867567
Molar Refractivity
53.769
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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