Molecule

ID:74904

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈NO₃P
Molecular Mass
255.249981
Exact Mass
255.10243007
Charge
0
InChI
InChI=1S/C12H18NO3P/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChIKey
REXOGTNRQYAOQG-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(C/N=C/c1ccccc1)OCC
Isomeric Smiles
P(=O)(OCC)(OCC)C/N=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7155285
LogD (pH = 7.4)
2.721246
Log P
2.7213194
Molar Refractivity
68.6343
Polarizability
26.770372
Polar Surface Area
47.89
Rotatable Bonds
7
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
References
Bioactivity
Navigation