Molecule

ID:74948

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆NO₅P
Molecular Mass
297.243601
Exact Mass
297.07660925
Charge
0
InChI
InChI=1S/C13H16NO5P/c1-3-18-20(17,19-4-2)9-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-8H,3-4,9H2,1-2H3
InChIKey
IUZMHUAHKBHJFY-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(CN1C(=O)c2c(C1=O)cccc2)OCC
Isomeric Smiles
N1(C(=O)c2c(cccc2)C1=O)CP(=O)(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.444983
LogD (pH = 7.4)
1.444983
Log P
1.444983
Molar Refractivity
73.25
Polarizability
28.13269
Polar Surface Area
72.91
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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