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Chemical ID: 6750524
Chemical ID:
6750524
Name [?]:
2-azaniumylpentanedioate
SMILES [?]:
C(CC(=O)[O-])C(C(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,10,4,5,8,9/E:(7,8)(9,10)/rA:10cCCCOO-CCOO-N+/rB:s1;s2;d3;s3;s1;s6;d7;s7;s6;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H8NO4- |
All Atoms: | 18 |
Heavy Atoms: | 10 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -61.2024 |
Area: | 308.006 |
Solvation: | -68.9025 |
Coulombic: | -14.1223 |
Bond Count [?]
All: | 9 |
Single: | 7 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 146.121 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | -2.14 |
LogP (Chemaxon): | -3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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