Molecule

ID:80834

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆NO₂P
Molecular Mass
309.298901
Exact Mass
309.09186539
Charge
0
InChI
InChI=1S/C18H16NO2P/c20-18(15-8-7-13-19-14-15)22(21,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18,20H
InChIKey
ZBYWXQPLJLKIOE-UHFFFAOYSA-N
Canonic Smiles
OC(P(=O)(c1ccccc1)c1ccccc1)c1cccnc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(c1cccnc1)O
Calculated Properties
JChem
Acid pKa
12.525501
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.100781
LogD (pH = 7.4)
3.1502206
Log P
3.1509
Molar Refractivity
86.8672
Polarizability
34.489494
Polar Surface Area
50.19
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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