Molecule

ID:81576

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂N₂O₄P
Molecular Mass
369.180721
Exact Mass
368.04594909
Charge
0
InChI
InChI=1S/C13H19Cl2N2O4P/c1-8(2)20-22(19,21-9(3)4)17-13(18)16-12-6-10(14)5-11(15)7-12/h5-9H,1-4H3,(H2,16,17,18,19)
InChIKey
KLOSTOLOACOAPI-UHFFFAOYSA-N
Canonic Smiles
O=C(NP(=O)(OC(C)C)OC(C)C)Nc1cc(Cl)cc(c1)Cl
Isomeric Smiles
P(=O)(NC(=O)Nc1cc(cc(c1)Cl)Cl)(OC(C)C)OC(C)C
Calculated Properties
JChem
Acid pKa
4.758788
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2102454
LogD (pH = 7.4)
2.8767824
Log P
3.8121042
Molar Refractivity
87.794
Polarizability
34.15061
Polar Surface Area
76.66
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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