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Chemical ID: 4166119
Chemical ID:
4166119
Name [?]:
2-oxamoylaminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC(=O)C(=O)N
InChi [?]:
InChI=1/C9H8N2O4/c10-7(12)8(13)11-6-4-2-1-3-5(6)9(14)15/h1-4H,(H2,10,12)(H,11,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,13,11,7,15,10,14,12,8,9/E:(14,15)/rA:15nCCCCCCCOONCOCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.84123 |
Area: | 367.197 |
Solvation: | -2.33869 |
Coulombic: | -78.0877 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.171 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.2 |
LogP (Chemaxon): | 0.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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