Molecule

ID:74901

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆NO₃P
Molecular Mass
229.212701
Exact Mass
229.08678001
Charge
0
InChI
InChI=1S/C10H16NO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
InChIKey
OIGQTUBEBRLSOX-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(c1ccc(cc1)N)OCC
Isomeric Smiles
P(=O)(c1ccc(cc1)N)(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8353183
LogD (pH = 7.4)
1.8359914
Log P
1.836
Molar Refractivity
60.4086
Polarizability
23.489285
Polar Surface Area
61.55
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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