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Chemical ID: 6694208
Chemical ID:
6694208
Name [?]:
2-[methyl-(N-phosphonocarbamimidoyl)-amino]acetic acid
SMILES [?]:
CN(CC(=O)O)C(=N)NP(=O)(O)O
InChi [?]:
InChI=1/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,9,2,5,6,11,12,13,10/E:(8,9)(10,11,12)/rA:13nCNCCOOCNNPOOO/rB:s1;s2;s3;d4;s4;s2;w7;s7;s9;d10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H10N3O5P |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.59712 |
Area: | 361.139 |
Solvation: | -4.43137 |
Coulombic: | -96.3701 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.113 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 8 |
XLogP: | -1.52 |
LogP (Chemaxon): | -1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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