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Chemical ID: 4979024
Chemical ID:
4979024
Name [?]:
2-hydrazinobenzene-1,4-dicarboxylic acid
SMILES [?]:
c1cc(c(cc1C(=O)O)NN)C(=O)O
InChi [?]:
InChI=1/C8H8N2O4/c9-10-6-3-4(7(11)12)1-2-5(6)8(13)14/h1-3,10H,9H2,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,7,12,11,10,8,9,13,14/E:(11,12)(13,14)/rA:14nCCCCCCCOONNCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;s3;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N2O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.11766 |
Area: | 357.376 |
Solvation: | -2.81675 |
Coulombic: | -72.6104 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 196.16 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | 0.65 |
LogP (Chemaxon): | -0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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