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Chemical ID: 7703337
Chemical ID:
7703337
Name [?]:
None
SMILES [?]:
c1cc(cnc1)c2nc(cs2)CNS(=O)(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C15H12BrN3O2S2/c16-12-3-5-14(6-4-12)23(20,21)18-9-13-10-22-15(19-13)11-2-1-7-17-8-11/h1-8,10,18H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,19,21,18,22,6,4,12,10,3,20,9,17,7,23,5,13,8,15,16,11,14/E:(3,4)(5,6)(20,21)/CRV:23.6/rA:23nCCCCNCCNCCSCNSOOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s3;d7;s8;d9;s7s10;s9;s12;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12BrN3O2S2 |
All Atoms: | 35 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6886 |
Area: | 559.794 |
Solvation: | -3.30623 |
Coulombic: | -22.6771 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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