Molecule

ID:80814

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀NO₂P
Molecular Mass
301.319961
Exact Mass
301.12316552
Charge
0
InChI
InChI=1S/C17H20NO2P/c1-17(2,3)18-16(19)21(20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,18,19)
InChIKey
NRGIBYDTXTXTQJ-UHFFFAOYSA-N
Canonic Smiles
O=C(P(=O)(c1ccccc1)c1ccccc1)NC(C)(C)C
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(=O)NC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.925792
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6342
LogD (pH = 7.4)
3.634199
Log P
3.6342
Molar Refractivity
85.3364
Polarizability
33.746758
Polar Surface Area
46.17
Rotatable Bonds
4
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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