Molecule

ID:38512

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₂NO₇P
Molecular Mass
489.497841
Exact Mass
489.191639
Charge
0
InChI
InChI=1S/C25H32NO7P/c1-3-32-34(30,33-4-2)16-10-9-15-23(24(27)28)26-25(29)31-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22-23H,3-4,9-10,15-17H2,1-2H3,(H,26,29)(H,27,28)/t23-/m0/s1
InChIKey
ZIJGXRSOXBXZOL-QHCPKHFHSA-N
Canonic Smiles
CCOP(=O)(OCC)CCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
CCOP(=O)(CCCC[C@@H](C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2)OCC
Calculated Properties
JChem
Acid pKa
3.7341537
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4298697
LogD (pH = 7.4)
0.8707974
Log P
4.196651
Molar Refractivity
127.7341
Polarizability
51.569805
Polar Surface Area
111.16
Rotatable Bonds
14
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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