Molecule

ID:79290

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅OP
Molecular Mass
278.284861
Exact Mass
278.08605173
Charge
0
InChI
InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey
FIQMHBFVRAXMOP-UHFFFAOYSA-N
Canonic Smiles
O=P(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
4.76
LogD (pH = 5.5)
4.76
Log P
4.76
Rotatable Bonds
3
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.45
Polar Surface Area
17.07
Polarizability
29.39
Molar Refractivity
83.07
LOG S
-4.07
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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