Molecule

ID:102635

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅ClNO₆P
Molecular Mass
407.741561
Exact Mass
407.03255152
Charge
0
InChI
InChI=1S/C18H15ClNO6P/c1-25-16-7-6-13(19)10-15(16)20-18(21)14-8-11-4-2-3-5-12(11)9-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)
InChIKey
AXMIMEOLDUCZOC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)c1cc2ccccc2cc1OP(=O)(O)O)Cl
Isomeric Smiles
COc1ccc(Cl)cc1NC(=O)c1cc2c(cccc2)cc1OP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.7435931
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.1590946
LogD (pH = 7.4)
0.4067807
Log P
3.5435503
Molar Refractivity
102.1635
Polarizability
39.718067
Polar Surface Area
105.09
Rotatable Bonds
5
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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