Molecule
ID:123182
General Information
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c17-14(18)11-9-13(16-7-3-4-8-16)15-12-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2,(H,17,18)
InChIKey
ZYHBHRZETUGWKK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2)N1CCCC1
Isomeric Smiles
c1(nc2c(c(c1)C(=O)O)cccc2)N1CCCC1
Calculated Properties
JChem
Acid pKa
4.436251
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.6733587
LogD (pH = 7.4)
-0.05854657
Log P
2.6037424
Molar Refractivity
69.5186
Polarizability
27.044754
Polar Surface Area
53.43
Rotatable Bonds
2
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
No Data Available
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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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