Molecule

ID:74955

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀NO₃P
Molecular Mass
281.287261
Exact Mass
281.11808014
Charge
0
InChI
InChI=1S/C14H20NO3P/c1-4-17-19(16,18-5-2)11-12-10-15(3)14-9-7-6-8-13(12)14/h6-10H,4-5,11H2,1-3H3
InChIKey
LVROGTVOJZRELR-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1cn(c2c1cccc2)C)OCC
Isomeric Smiles
n1(c2c(cccc2)c(c1)CP(=O)(OCC)OCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6944785
LogD (pH = 7.4)
2.6944785
Log P
2.6944785
Molar Refractivity
76.3594
Polarizability
31.153074
Polar Surface Area
40.46
Rotatable Bonds
6
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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