Molecule
ID:122446
General Information
Molecular Formula
C₁₇H₁₈N₂O₃
Molecular Mass
298.33642
Exact Mass
298.13174245
Charge
0
InChI
InChI=1S/C17H18N2O3/c1-18-15(20)19(2)17(22,14-11-7-4-8-12-14)16(18,21)13-9-5-3-6-10-13/h3-12,21-22H,1-2H3
InChIKey
NXQPKFDLVDLKBZ-UHFFFAOYSA-N
Canonic Smiles
CN1C(=O)N(C(C1(O)c1ccccc1)(O)c1ccccc1)C
Isomeric Smiles
N1(C(C(N(C1=O)C)(c1ccccc1)O)(c1ccccc1)O)C
Calculated Properties
JChem
Acid pKa
10.597681
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5484543
LogD (pH = 7.4)
2.5481827
Log P
2.5484579
Molar Refractivity
82.2606
Polarizability
31.97027
Polar Surface Area
64.01
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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