Chemical ID: 6692700

CN1CC(=O)N=C1NP(=O)(O)O
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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Descriptor Annotations

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