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Chemical ID: 7677895
Chemical ID:
7677895
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)[nH]c(n2)C(=O)O
InChi [?]:
InChI=1/C9H8N2O2/c1-5-2-3-6-7(4-5)11-8(10-6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,5,6,9,11,10,8,12,13/E:(12,13)/rA:13nCCCCCCCNCNCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.61493 |
Area: | 335.499 |
Solvation: | -1.77254 |
Coulombic: | -46.9329 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.38 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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