Chemical ID: 7727859

Cc1c2ccc(cc2oc(=O)c1c3ccccc3)OCC=C(C)C
Chemical ID:
7727859
Name [?]:
None
SMILES [?]:
Cc1c2ccc(cc2oc(=O)c1c3ccccc3)OCC=C(C)C
InChi [?]:
InChI=1/C21H20O3/c1-14(2)11-12-23-17-9-10-18-15(3)20(16-7-5-4-6-8-16)21(22)24-19(18)13-17/h4-11,13H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:23,24,1,16,15,17,14,18,5,4,21,20,7,22,2,13,6,3,8,12,10,11,19,9/E:(1,2)(5,6)(7,8)/rA:24nCCCCCCCCOCOCCCCCCCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;d14;s15;d16;d13s17;s6;s19;s20;d21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O3
All Atoms:44
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.0403
Area:536.284
Solvation:-3.36682
Coulombic:-29.4037
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.1
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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