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Chemical ID: 6261327
Chemical ID:
6261327
Name [?]:
None
SMILES [?]:
Cc1nc2c(s1)ccc3c2sc(n3)NC(=O)COc4ccccc4
InChi [?]:
InChI=1/C17H13N3O2S2/c1-10-18-15-13(23-10)8-7-12-16(15)24-17(19-12)20-14(21)9-22-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,24,8,7,17,2,19,9,5,15,4,10,12,3,13,14,16,18,6,11/E:(3,4)(5,6)/rA:24nCCNCCSCCCCSCNNCOCOCCCCCC/rB:s1;d2;s3;s4;s2s5;d5;s7;d8;d4s9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13N3O2S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01526 |
Area: | 559.659 |
Solvation: | -4.97621 |
Coulombic: | -38.7985 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 355.436 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.35 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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