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Chemical ID: 6934181
Chemical ID:
6934181
Name [?]:
2-(N'-benzoylhydrazino)-2-oxo-acetamide
SMILES [?]:
c1ccc(cc1)C(=O)NNC(=O)C(=O)N
InChi [?]:
InChI=1/C9H9N3O3/c10-7(13)9(15)12-11-8(14)6-4-2-1-3-5-6/h1-5H,(H2,10,13)(H,11,14)(H,12,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,13,7,11,15,9,10,14,8,12/E:(2,3)(4,5)/rA:15nCCCCCCCONNCOCON/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.23813 |
Area: | 393.891 |
Solvation: | -2.60914 |
Coulombic: | -67.0362 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.186 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -0.03 |
LogP (Chemaxon): | -0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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