Molecule

ID:102638

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈NO₅P
Molecular Mass
371.323681
Exact Mass
371.09225931
Charge
0
InChI
InChI=1S/C19H18NO5P/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24/h3-11H,1-2H3,(H,20,21)(H2,22,23,24)
InChIKey
IOMLBTHPCVDRHM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)NC(=O)c1cc2ccccc2cc1OP(=O)(O)O
Isomeric Smiles
Cc1ccc(NC(=O)c2cc3c(cccc3)cc2OP(=O)(O)O)c(C)c1
Calculated Properties
JChem
Acid pKa
1.7435989
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.7395818
LogD (pH = 7.4)
0.98842096
Log P
4.1240196
Molar Refractivity
100.9779
Polarizability
38.79922
Polar Surface Area
95.86
Rotatable Bonds
4
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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