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Chemical ID: 7655662
Chemical ID:
7655662
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)c2nnc(s2)NC(=O)COc3ccc(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C16H10Cl3N3O2S/c17-9-5-6-13(12(19)7-9)24-8-14(23)20-16-22-21-15(25-16)10-3-1-2-4-11(10)18/h1-7H,8H2,(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,19,18,21,15,20,5,4,22,17,13,7,10,24,25,23,12,8,9,14,16,11/rA:25nCCCCCCCNNCSNCOCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl3N3O2S |
All Atoms: | 35 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.59746 |
Area: | 614.022 |
Solvation: | -5.75309 |
Coulombic: | -33.2655 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.73 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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