Molecule
ID:25812
General Information
Molecular Formula
C₁₀H₂₂N₂O
Molecular Mass
186.29448
Exact Mass
186.17321333
Charge
0
InChI
InChI=1S/C10H22N2O/c1-2-3-4-5-6-7-8-9-10(13)12-11/h2-9,11H2,1H3,(H,12,13)
InChIKey
ROGBVBLYGMXQRO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(=O)NN
Isomeric Smiles
C(=O)(NN)CCCCCCCCC
Calculated Properties
JChem
Acid pKa
13.358329
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4831991
LogD (pH = 7.4)
2.4857197
Log P
2.4857526
Molar Refractivity
55.7839
Polarizability
21.782492
Polar Surface Area
55.12
Rotatable Bonds
8
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
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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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