Molecule
ID:119952
General Information
Molecular Formula
C₁₆H₁₃NO₃
Molecular Mass
267.27932
Exact Mass
267.08954328
Charge
0
InChI
InChI=1S/C16H13NO3/c1-19-11-8-6-10(7-9-11)15(18)16-14(17)12-4-2-3-5-13(12)20-16/h2-9H,17H2,1H3
InChIKey
BLZJBFVSORKWST-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)c1oc2c(c1N)cccc2
Isomeric Smiles
c1(c(c2c(o1)cccc2)N)C(=O)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.175126
LogD (pH = 7.4)
3.175126
Log P
3.175126
Molar Refractivity
76.5157
Polarizability
30.021923
Polar Surface Area
65.46
Rotatable Bonds
3
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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