Molecule

ID:128441

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄NO₅P
Molecular Mass
223.163521
Exact Mass
223.06095918
Charge
0
InChI
InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)
InChIKey
KRTSDMXIXPKRQR-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)/C=C(/OP(=O)(OC)OC)\C
Isomeric Smiles
O=P(O/C(=C/C(=O)NC)/C)(OC)OC
Calculated Properties
JChem
Acid pKa
15.726248
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4663406
LogD (pH = 7.4)
-0.4663361
Log P
-0.46633604
Molar Refractivity
51.6446
Polarizability
20.145319
Polar Surface Area
73.86
Rotatable Bonds
5
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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