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Chemical ID: 6504222
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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