Molecule

ID:74990

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂NO₅P
Molecular Mass
269.190441
Exact Mass
269.04530912
Charge
0
InChI
InChI=1S/C11H12NO5P/c1-16-18(15,17-2)7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
InChIKey
WDBHXTMUHJGHAN-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(CN1C(=O)c2c(C1=O)cccc2)OC
Isomeric Smiles
P(=O)(OC)(OC)CN1C(=O)c2c(cccc2)C1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7454149
LogD (pH = 7.4)
0.7454149
Log P
0.7454149
Molar Refractivity
63.7528
Polarizability
24.494194
Polar Surface Area
72.91
Rotatable Bonds
4
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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