Molecule
ID:96321
General Information
Molecular Formula
C₂₃H₂₅ClFO₅PS
Molecular Mass
498.9317642
Exact Mass
498.08328743
Charge
0
InChI
InChI=1S/C23H25ClFO5PS/c1-4-8-16-17-12-11-15(30-31(32,27-5-2)28-6-3)13-22(17)29-23(26)18(16)14-19-20(24)9-7-10-21(19)25/h7,9-13H,4-6,8,14H2,1-3H3
InChIKey
FFULAHRSBARJHU-UHFFFAOYSA-N
Canonic Smiles
CCCc1c2ccc(cc2oc(=O)c1Cc1c(F)cccc1Cl)OP(=S)(OCC)OCC
Isomeric Smiles
o1c(=O)c(c(c2c1cc(cc2)OP(=S)(OCC)OCC)CCC)Cc1c(cccc1Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.0945377
LogD (pH = 7.4)
7.0945377
Log P
7.0945377
Molar Refractivity
128.4134
Polarizability
50.335102
Polar Surface Area
53.99
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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