Molecule

ID:130804

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆NO₆P
Molecular Mass
373.296501
Exact Mass
373.07152387
Charge
0
InChI
InChI=1S/C18H16NO6P/c1-24-16-9-5-4-8-15(16)19-18(20)14-10-12-6-2-3-7-13(12)11-17(14)25-26(21,22)23/h2-11H,1H3,(H,19,20)(H2,21,22,23)
InChIKey
OQFPBLDHWBQYNM-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NC(=O)c1cc2ccccc2cc1OP(=O)(O)O
Isomeric Smiles
COc1ccccc1NC(=O)c1cc2ccccc2cc1OP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.7435932
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.5550648
LogD (pH = 7.4)
-0.19626544
Log P
2.9395056
Molar Refractivity
97.3587
Polarizability
37.811886
Polar Surface Area
105.09
Rotatable Bonds
5
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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