Molecule

ID:16587

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKey
JKBDNPCWBJBVJB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnn(c1)C1CCCCC1
Isomeric Smiles
n1(C2CCCCC2)cc(cn1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9128594
LogD (pH = 7.4)
1.9128785
Log P
1.9128788
Molar Refractivity
62.5596
Polarizability
19.278168
Polar Surface Area
34.89
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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