Molecule
ID:58670
General Information
Molecular Formula
C₂₀H₁₇NO₄
Molecular Mass
335.35328
Exact Mass
335.11575803
Charge
0
InChI
InChI=1S/C20H17NO4/c1-21(2)14-10-7-13(8-11-14)9-12-16(22)18-19(23)15-5-3-4-6-17(15)25-20(18)24/h3-12,23H,1-2H3/b12-9+
InChIKey
RGEZPZWWPVZCIT-FMIVXFBMSA-N
Canonic Smiles
O=C(c1c(=O)oc2c(c1O)cccc2)/C=C/c1ccc(cc1)N(C)C
Isomeric Smiles
c1ccc2c(c1)c(c(c(=O)o2)C(=O)/C=C/c1ccc(cc1)N(C)C)O
Calculated Properties
JChem
Acid pKa
5.693475
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.0156443
LogD (pH = 7.4)
1.5892832
Log P
3.0635471
Molar Refractivity
97.9111
Polarizability
36.15145
Polar Surface Area
66.84
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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