Molecule

ID:5455

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇O₂P
Molecular Mass
164.182441
Exact Mass
164.09661641
Charge
0
InChI
InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1
InChIKey
QZUGWOMGKDLYKO-ZCFIWIBFSA-N
Canonic Smiles
CP(=O)O[C@@H](C(C)(C)C)C
Isomeric Smiles
CC(C)(C)[C@@H](C)OP(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6735
LogD (pH = 7.4)
1.6735
Log P
1.6735
Molar Refractivity
42.9966
Polarizability
17.603983
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.42
LOG S
-1.94
Solubility (Water)
1.87e+00 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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