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Chemical ID: 4585662
Chemical ID:
4585662
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3n2C(=O)C(=O)N3
InChi [?]:
InChI=1/C9H5N3O2/c13-7-8(14)12-6-4-2-1-3-5(6)10-9(12)11-7/h1-4H,(H,10,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,12,10,8,7,14,9,13,11/rA:14nCCCCCCNCNCOCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;d12;s8s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H5N3O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.31575 |
Area: | 331.807 |
Solvation: | -1.97942 |
Coulombic: | -46.2405 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 187.155 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -0.09 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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