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Chemical ID: 6502264
Chemical ID:
6502264
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3c(n2)SC4=NC(=O)CC(=O)N34
InChi [?]:
InChI=1/C12H6N4O2S/c17-8-5-9(18)16-10-11(19-12(16)15-8)14-7-4-2-1-3-6(7)13-10/h1-4H,5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,16,5,4,14,17,8,9,12,7,10,13,19,15,18,11/rA:19nCCCCCCNCCNSCNCOCCON/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;s14;s16;d17;s8s12s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H6N4O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.18289 |
Area: | 413.543 |
Solvation: | -3.15568 |
Coulombic: | -40.6044 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 270.268 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.72 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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