Molecule

ID:5827

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₃O₃P
Molecular Mass
304.405181
Exact Mass
304.21673155
Charge
0
InChI
InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m0/s1
InChIKey
WAVIZOVSJOXCKT-XHSDSOJGSA-N
Canonic Smiles
CCCCCC[P@@](=O)(O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)O
Isomeric Smiles
C(CCCCC)[P@@](=O)(O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)O
Calculated Properties
JChem
Acid pKa
1.9272195
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3009334
LogD (pH = 7.4)
2.2784698
Log P
4.5839977
Molar Refractivity
84.0437
Polarizability
33.879745
Polar Surface Area
46.53
Rotatable Bonds
8
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.34
LOG S
-3.9
Solubility (Water)
3.84e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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