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Chemical ID: 7560394
Chemical ID:
7560394
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)C3=C(C2=O)C4CC3C=C4
InChi [?]:
InChI=1/C15H10O2/c16-14-10-3-1-2-4-11(10)15(17)13-9-6-5-8(7-9)12(13)14/h1-6,8-9H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,16,17,14,15,13,5,4,9,10,7,11,8,12/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:17cCCCCCCCOCCCOCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;d11;s10;s13;s9s14;s15;s13d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O2 |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.35717 |
Area: | 376.121 |
Solvation: | -2.04585 |
Coulombic: | -18.6924 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.12 |
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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