Molecule

ID:131486

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆NO₃P
Molecular Mass
301.276901
Exact Mass
301.08678001
Charge
0
InChI
InChI=1S/C16H13O3P.H3N/c17-20(18,16-8-2-1-3-9-16)19-15-11-10-13-6-4-5-7-14(13)12-15;/h1-12H,(H,17,18);1H3
InChIKey
ISEIUZOQVLCITQ-UHFFFAOYSA-N
Canonic Smiles
[O-]P(=O)(c1ccccc1)Oc1ccc2c(c1)cccc2.[NH4+]
Isomeric Smiles
c1ccc(cc1)P(=O)([O-])Oc1ccc2ccccc2c1.[NH4+]
Calculated Properties
JChem
Acid pKa
2.2435336
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.668224
LogD (pH = 7.4)
1.6269526
Log P
3.8902
Molar Refractivity
76.8348
Polarizability
31.699617
Polar Surface Area
49.36
Rotatable Bonds
3
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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