Molecule

ID:85125

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅Cl₂N₂O₃P
Molecular Mass
301.106761
Exact Mass
300.01973434
Charge
0
InChI
InChI=1S/C9H14ClN2O3P.ClH/c1-2-15-16(13,14)6-12-9-4-3-7(10)5-8(9)11;/h3-5,12H,2,6,11H2,1H3,(H,13,14);1H
InChIKey
RPSKGUKEKBOSLI-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(CNc1ccc(cc1N)Cl)O.Cl
Isomeric Smiles
P(=O)(CNc1ccc(cc1N)Cl)(O)OCC.Cl
Calculated Properties
JChem
Acid pKa
1.4967903
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.0887698
LogD (pH = 7.4)
-1.2001235
Log P
0.27129883
Molar Refractivity
65.5646
Polarizability
24.539326
Polar Surface Area
84.58
Rotatable Bonds
5
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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