Molecule
ID:44797
General Information
Molecular Formula
C₁₇H₁₄N₂O₃
Molecular Mass
294.30466
Exact Mass
294.10044232
Charge
0
InChI
InChI=1S/C17H14N2O3/c18-14-8-4-3-7-13(14)15(20)9-10-19-16(21)11-5-1-2-6-12(11)17(19)22/h1-8H,9-10,18H2
InChIKey
RQZRDXVYNVKYRN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1N)CCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCC(=O)c1c(N)cccc1
Calculated Properties
JChem
Acid pKa
15.6568165
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.2071269
LogD (pH = 7.4)
2.2074046
Log P
2.2074082
Molar Refractivity
83.513
Polarizability
30.451843
Polar Surface Area
80.47
Rotatable Bonds
4
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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