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Chemical ID: 7657816
Chemical ID:
7657816
Name [?]:
None
SMILES [?]:
c1ccc(cc1)Nc2[nH]c(=O)cnn2
InChi [?]:
InChI=1/C9H8N4O/c14-8-6-10-13-9(12-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,4,10,8,13,7,9,14,11/E:(2,3)(4,5)/rA:14nCCCCCCNCNCOCNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;d12;d8s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N4O |
All Atoms: | 22 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.55648 |
Area: | 348.387 |
Solvation: | -2.1532 |
Coulombic: | -37.1736 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.82 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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