Chemical ID: 6504222

CNC(=O)NC(=O)CP(=O)(O)O
Chemical ID:
6504222
Name [?]:
methylcarbamoylcarbamoylmethylphosphonic acid
SMILES [?]:
CNC(=O)NC(=O)CP(=O)(O)O
InChi [?]:
InChI=1/C4H9N2O5P/c1-5-4(8)6-3(7)2-12(9,10)11/h2H2,1H3,(H2,9,10,11)(H2,5,6,7,8)
InChi Info:
AuxInfo=1/1/N:1,8,6,3,2,5,7,4,10,11,12,9/E:(9,10,11)/rA:12nCNCONCOCPOOO/rB:s1;s2;d3;s3;s5;d6;s6;s8;d9;s9;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H9N2O5P
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:2.446
Area:348.139
Solvation:-6.25746
Coulombic:-77.5946
Bond Count [?]
All:11
Single:8
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.098
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:-2.26
LogP (Chemaxon):-2.61

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