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Chemical ID: 7725220
Chemical ID:
7725220
Name [?]:
None
SMILES [?]:
Cc1ccccc1CSc2ccc3nnc(n3n2)c4ccncc4
InChi [?]:
InChI=1/C18H15N5S/c1-13-4-2-3-5-15(13)12-24-17-7-6-16-20-21-18(23(16)22-17)14-8-10-19-11-9-14/h2-11H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,12,11,20,24,21,23,8,2,19,7,13,10,16,22,14,15,18,17,9/E:(8,9)(10,11)/rA:24nCCCCCCCCSCCCCNNCNNCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;s14;d15;s13s16;d10s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15N5S |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.9428 |
Area: | 531.945 |
Solvation: | -2.35586 |
Coulombic: | -17.6878 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.48 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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