Molecule

ID:128402

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₂O₅P
Molecular Mass
250.188861
Exact Mass
250.07185822
Charge
0
InChI
InChI=1S/C8H15N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h1,5,7,9H,2-4,6H2,(H,11,12)(H2,13,14,15)
InChIKey
VZXMZMJSGLFKQI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1NCCN(C1)C/C=C/P(=O)(O)O
Isomeric Smiles
C1CN(CC(N1)C(=O)O)C/C=C/P(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.070728
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
-5.7038646
LogD (pH = 7.4)
-6.6927586
Log P
-4.5115333
Molar Refractivity
57.0953
Polarizability
22.445778
Polar Surface Area
110.1
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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