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Chemical ID: 7667762
Chemical ID:
7667762
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)sc(n2)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C14H11ClN2OS/c1-18-11-5-6-12-13(8-11)19-14(17-12)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,4,5,18,8,17,13,3,6,7,10,19,12,11,2,9/rA:19nCOCCCCCCSCNNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6d10;s10;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClN2OS |
All Atoms: | 30 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.3556 |
Area: | 471.993 |
Solvation: | -2.44423 |
Coulombic: | -26.3288 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.68 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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