Molecule

ID:103993

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClNO₃P
Molecular Mass
249.631181
Exact Mass
249.03215759
Charge
0
InChI
InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)
InChIKey
VSGNGLJPOGUDON-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)Cl)CP(=O)(O)O
Isomeric Smiles
NCC(CP(=O)(O)O)c1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
1.7789452
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.8232429
LogD (pH = 7.4)
-0.87930393
Log P
-0.8228986
Molar Refractivity
59.4332
Polarizability
23.500967
Polar Surface Area
83.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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