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Chemical ID: 4163920
Chemical ID:
4163920
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)n3c(n2)ccc(=O)[nH]3
InChi [?]:
InChI=1/C11H7N3O2/c15-10-6-5-9-12-8-4-2-1-3-7(8)11(16)14(9)13-10/h1-6H,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,5,4,10,14,7,11,16,9,15,8/rA:16nCCCCCCCONCNCCCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;d12;s13;d14;s9s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7N3O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75022 |
Area: | 362.23 |
Solvation: | -2.30555 |
Coulombic: | -38.4493 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 213.192 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.45 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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