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Chemical ID: 6261298
Chemical ID:
6261298
Name [?]:
None
SMILES [?]:
Cc1nc2c(s1)ccc3c2sc(n3)NC(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C17H13N3O2S2/c1-9-18-14-13(23-9)8-7-12-15(14)24-17(19-12)20-16(21)10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,18,22,19,21,8,7,2,17,20,9,5,4,10,15,12,3,13,14,16,23,6,11/E:(3,4)(5,6)/rA:24nCCNCCSCCCCSCNNCOCCCCCCOC/rB:s1;d2;s3;s4;s2s5;d5;s7;d8;d4s9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13N3O2S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85872 |
Area: | 553.161 |
Solvation: | -3.9703 |
Coulombic: | -39.4888 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 355.436 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.59 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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