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Chemical ID: 6875174
Chemical ID:
6875174
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)c2csc3c2c4nnc(n4cn3)c5cccs5
InChi [?]:
InChI=1/C19H14N4S2/c1-11-5-6-13(8-12(11)2)14-9-25-19-16(14)18-22-21-17(23(18)10-20-19)15-4-3-7-24-15/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,23,22,3,4,24,6,10,19,2,7,5,9,21,13,17,14,12,20,16,15,18,25,11/rA:25nCCCCCCCCCCSCCCNNCNCNCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s13;d14;s15;d16;s14s17;s18;s12d19;s17;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14N4S2 |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7553 |
Area: | 538.1 |
Solvation: | -1.6972 |
Coulombic: | -19.2933 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 362.473 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.64 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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