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Chemical ID: 7658798
Chemical ID:
7658798
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
InChi [?]:
InChI=1/C15H9N3S/c1-2-6-13-11(4-1)14-12(8-16-9-18-14)10-5-3-7-17-15(10)19-13/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,15,6,14,3,16,9,11,13,5,8,4,7,18,10,17,12,19/rA:19nCCCCCCCCCNCNCCCCNCS/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s8;s13;d14;s15;d16;d13s17;s4s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9N3S |
All Atoms: | 28 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.27751 |
Area: | 412.931 |
Solvation: | -2.04577 |
Coulombic: | -17.0294 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.71 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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