Chemical ID: 4564817

Cc1c2cc3c(cc2oc(=O)c1CCC(=O)O)occ3c4ccc(cc4)c5ccccc5
Chemical ID:
4564817
Name [?]:
None
SMILES [?]:
Cc1c2cc3c(cc2oc(=O)c1CCC(=O)O)occ3c4ccc(cc4)c5ccccc5
InChi [?]:
InChI=1/C27H20O5/c1-16-20(11-12-26(28)29)27(30)32-25-14-24-22(13-21(16)25)23(15-31-24)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,13-15H,11-12H2,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,30,29,31,28,32,23,25,22,26,13,14,4,7,19,2,27,24,21,12,3,5,20,6,8,15,10,16,17,11,18,9/E:(3,4)(5,6)(7,8)(9,10)(28,29)/rA:32nCCCCCCCCOCOCCCCOOOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;s14;d15;s15;s6;s18;s5d19;s20;s21;d22;s23;d24;d21s25;s24;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H20O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.6734
Area:652.573
Solvation:-4.64092
Coulombic:-53.7692
Bond Count [?]
All:36
Single:23
Double:13
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:424.445
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.48
LogP (Chemaxon):6.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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