Molecule
ID:71490
General Information
Molecular Formula
C₂₅H₁₇NO₄
Molecular Mass
395.40678
Exact Mass
395.11575803
Charge
0
InChI
InChI=1S/C25H17NO4/c27-23-21-19-15-8-1-2-9-16(15)20(18-11-4-3-10-17(18)19)22(21)24(28)26(23)14-7-5-6-13(12-14)25(29)30/h1-12,19-22H,(H,29,30)
InChIKey
FTUWSZLTOPTYLV-UHFFFAOYSA-N
Canonic Smiles
O=C1N(c2cccc(c2)C(=O)O)C(=O)C2C1C1c3ccccc3C2c2c1cccc2
Isomeric Smiles
c1ccc2C3C4C(=O)N(C(=O)C4C(c2c1)c1c3cccc1)c1cc(C(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
3.893005
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0711792
LogD (pH = 7.4)
0.46642673
Log P
3.6836183
Molar Refractivity
109.9241
Polarizability
41.956085
Polar Surface Area
74.68
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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