Chemical ID: 6687485

C(NCP(=O)(O)O)P(=O)(O)O
Chemical ID:
6687485
Name [?]:
phosphonomethylaminomethylphosphonic acid
SMILES [?]:
C(NCP(=O)(O)O)P(=O)(O)O
InChi [?]:
InChI=1/C2H9NO6P2/c4-10(5,6)1-3-2-11(7,8)9/h3H,1-2H2,(H2,4,5,6)(H2,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,3,2,9,10,11,5,6,7,8,4/E:(1,2)(4,5,6,7,8,9)(10,11)/gE:(1,2)/rA:11nCNCPOOOPOOO/rB:s1;s2;s3;d4;s4;s4;s1;d8;s8;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C2H9NO6P2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:3.19126
Area:341.898
Solvation:-5.35618
Coulombic:-88.3603
Bond Count [?]
All:10
Single:8
Double:2
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.044
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:-3.95
LogP (Chemaxon):-2.76

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