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Chemical ID: 6692700
Chemical ID:
6692700
Name [?]:
(1-methyl-4-oxo-5H-imidazol-2-yl)aminophosphonic acid
SMILES [?]:
CN1CC(=O)N=C1NP(=O)(O)O
InChi [?]:
InChI=1/C4H8N3O4P/c1-7-2-3(8)5-4(7)6-12(9,10)11/h2H2,1H3,(H3,5,6,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,6,8,2,5,10,11,12,9/E:(9,10,11)/rA:12nCNCCONCNPOOO/rB:s1;s2;s3;d4;s4;s2d6;s7;s8;d9;s9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H8N3O4P |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.75243 |
Area: | 334.596 |
Solvation: | -3.61246 |
Coulombic: | -74.5238 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 193.098 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | -1.88 |
LogP (Chemaxon): | -1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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