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Chemical ID: 5245626
Chemical ID:
5245626
Name [?]:
None
SMILES [?]:
C=C1C2c3cc4c(cc3C(C1=C)O2)C(=O)C=CC4=O
InChi [?]:
InChI=1/C16H10O3/c1-7-8(2)16-12-6-10-9(5-11(12)15(7)19-16)13(17)3-4-14(10)18/h3-6,15-16H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,12,17,16,5,8,2,11,6,7,4,9,18,14,3,10,19,15,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:19cCCCCCCCCCCCCOCOCCCO/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;d11;s3s10;s7;d14;s14;d16;s6s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.64939 |
Area: | 417.562 |
Solvation: | -3.78965 |
Coulombic: | -26.8389 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 250.249 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.89 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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