Molecule
ID:76632
General Information
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c18-13(16-8-4-1-5-9-16)10-17-14(19)11-6-2-3-7-12(11)15(17)20/h2-3,6-7H,1,4-5,8-10H2
InChIKey
VANKOLSJDZFGGG-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1)CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2ccccc2C1=O)CC(=O)N1CCCCC1
Calculated Properties
JChem
Acid pKa
15.157241
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.88585806
LogD (pH = 7.4)
0.88585806
Log P
0.88585806
Molar Refractivity
74.0537
Polarizability
27.537457
Polar Surface Area
57.69
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
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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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