Molecule

ID:33786

General Information
Structure
Molecular Formula
C₁₅H₁₇NO₄
Molecular Mass
275.29978
Exact Mass
275.11575803
Charge
0
InChI
InChI=1S/C15H17NO4/c1-10-14(11(2)20-16-10)9-19-8-13-6-12(7-17)4-5-15(13)18-3/h4-7H,8-9H2,1-3H3
InChIKey
HLPWDLNUUSRKMF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)COCc1c(C)noc1C)OC
Isomeric Smiles
c1(c(onc1C)C)COCc1c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8237684
LogD (pH = 7.4)
1.8238032
Log P
1.8238037
Molar Refractivity
76.4681
Polarizability
28.235632
Polar Surface Area
61.56
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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