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Chemical ID: 7658538
Chemical ID:
7658538
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccc(s2)C
InChi [?]:
InChI=1/C15H14OS/c1-11-3-6-13(7-4-11)15(16)10-9-14-8-5-12(2)17-14/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,14,4,6,13,11,10,2,15,5,12,8,9,16/E:(3,4)(6,7)/rA:17nCCCCCCCCOCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14OS |
All Atoms: | 31 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.53992 |
Area: | 448.237 |
Solvation: | -1.66599 |
Coulombic: | -11.6161 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.16 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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