Molecule

ID:22922

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13)
InChIKey
XFEFCFAFNZDPDF-UHFFFAOYSA-N
Canonic Smiles
Cc1c(NC(=O)CC)cccc1N
Isomeric Smiles
c1(c(NC(=O)CC)cccc1N)C
Calculated Properties
JChem
Acid pKa
14.309382
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5842204
LogD (pH = 7.4)
1.5958372
Log P
1.5959874
Molar Refractivity
55.2895
Polarizability
19.952375
Polar Surface Area
55.12
Rotatable Bonds
2
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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