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Chemical ID: 7746191
Chemical ID:
7746191
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C2=NN(C(C2)c3cccs3)C(=O)c4ccco4)O
InChi [?]:
InChI=1/C18H14N2O3S/c21-15-6-2-1-5-12(15)13-11-14(17-8-4-10-24-17)20(19-13)18(22)16-7-3-9-23-16/h1-10,14,21H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,21,14,6,3,20,13,22,15,11,5,7,10,4,19,12,17,8,9,24,18,23,16/rA:24cCCCCCCCNNCCCCCCSCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;s7s10;s10;d12;s13;d14;s12s15;s9;d17;s17;d19;s20;d21;s19s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O3S |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.96196 |
Area: | 511.52 |
Solvation: | -4.82603 |
Coulombic: | -40.263 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.82 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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