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Chemical ID: 6465536
Chemical ID:
6465536
Name [?]:
None
SMILES [?]:
Cc1cccc2c1nc3c(c2)C=Nc4ccccc4S3
InChi [?]:
InChI=1/C17H12N2S/c1-11-5-4-6-12-9-13-10-18-14-7-2-3-8-15(14)20-17(13)19-16(11)12/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,4,3,5,15,18,11,12,2,6,10,14,19,7,9,13,8,20/rA:20nCCCCCCCNCCCCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s9s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12N2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35192 |
Area: | 438.231 |
Solvation: | -1.60386 |
Coulombic: | -13.7034 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 276.357 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.97 |
LogP (Chemaxon): | 5.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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