Molecule

ID:3580

General Information
Structure
Molecular Formula
C₅H₁₅NO₄P+
Molecular Mass
184.150661
Exact Mass
184.0738696
Charge
1
InChI
InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChIKey
YHHSONZFOIEMCP-UHFFFAOYSA-O
Canonic Smiles
OP(=O)(OCC[N+](C)(C)C)O
Isomeric Smiles
C[N+](C)(C)CCOP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.98
LogD (pH = 5.5)
-2.84
Log P
-4.79
Rotatable Bonds
4
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
1.15
Polar Surface Area
66.76
Polarizability
17.23
Molar Refractivity
53.07
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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