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Chemical ID: 7689163
Chemical ID:
7689163
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)O)C=C2C(=O)NC(=Nc3ccc(cc3)Cl)S2
InChi [?]:
InChI=1/C16H11ClN2O2S/c17-11-4-6-12(7-5-11)18-16-19-15(21)14(22-16)9-10-2-1-3-13(20)8-10/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,19,16,20,4,8,3,18,15,5,9,10,13,21,14,12,7,11,22/E:(4,5)(6,7)/rA:22nCCCCCCOCCCONCNCCCCCCClS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClN2O2S |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.98014 |
Area: | 512.418 |
Solvation: | -2.83031 |
Coulombic: | -45.7363 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.31 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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