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Chemical ID: 4911097
Chemical ID:
4911097
Name [?]:
None
SMILES [?]:
c1cnc2c3cnc4c(c3nn2c1)ccs4
InChi [?]:
InChI=1/C11H6N4S/c1-3-12-10-8-6-13-11-7(2-5-16-11)9(8)14-15(10)4-1/h1-6H
InChi Info:
AuxInfo=1/0/N:1,14,2,13,15,6,9,5,10,4,8,3,7,11,12,16/rA:16nCCNCCCNCCCNNCCCS/rB:s1;d2;s3;d4;s5;d6;s7;d8;s5s9;d10;s4s11;d1s12;s9;d14;s8s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H6N4S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35194 |
Area: | 374.565 |
Solvation: | -2.01218 |
Coulombic: | -15.549 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 226.258 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.59 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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