Molecule

ID:75015

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃O₃P
Molecular Mass
260.224981
Exact Mass
260.06023091
Charge
0
InChI
InChI=1S/C14H13O3P/c15-14(16)11-18(17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChIKey
DDTNHSJIKJRPTF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CP(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.082807
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.184158
LogD (pH = 7.4)
-0.5459457
Log P
2.6153
Molar Refractivity
69.3728
Polarizability
27.530226
Polar Surface Area
54.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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