Chemical ID: 5245626

C=C1C2c3cc4c(cc3C(C1=C)O2)C(=O)C=CC4=O
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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