Molecule

ID:80822

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆NO₂P
Molecular Mass
309.298901
Exact Mass
309.09186539
Charge
0
InChI
InChI=1S/C18H16NO2P/c20-18(15-11-13-19-14-12-15)22(21,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,18,20H
InChIKey
JFXLXFTYJYSKPA-UHFFFAOYSA-N
Canonic Smiles
OC(P(=O)(c1ccccc1)c1ccccc1)c1ccncc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(c1ccncc1)O
Calculated Properties
JChem
Acid pKa
12.601348
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0497162
LogD (pH = 7.4)
3.149429
Log P
3.1509
Molar Refractivity
86.8672
Polarizability
34.489082
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
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation