Molecule
ID:27104
General Information
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-2-9(10(13)12-11)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3,(H,12,13)
InChIKey
LTQTXTYNNOTAOK-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1)C(=O)NN
Isomeric Smiles
C(=O)(C(c1ccccc1)CC)NN
Calculated Properties
JChem
Acid pKa
13.092873
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4933844
LogD (pH = 7.4)
1.4951079
Log P
1.4951308
Molar Refractivity
52.8474
Polarizability
20.32744
Polar Surface Area
55.12
Rotatable Bonds
3
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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