Chemical ID: 4100107

Cc1c2cc3c(coc3c(c2oc(=O)c1CC(=O)O)C)c4ccc5ccccc5c4
Chemical ID:
4100107
Name [?]:
None
SMILES [?]:
Cc1c2cc3c(coc3c(c2oc(=O)c1CC(=O)O)C)c4ccc5ccccc5c4
InChi [?]:
InChI=1/C25H18O5/c1-13-18-10-20-21(17-8-7-15-5-3-4-6-16(15)9-17)12-29-23(20)14(2)24(18)30-25(28)19(13)11-22(26)27/h3-10,12H,11H2,1-2H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,20,26,27,25,28,23,22,30,4,16,7,2,10,24,29,21,3,15,5,6,17,9,11,13,18,19,14,8,12/E:(26,27)/rA:30nCCCCCCCOCCCOCOCCCOOCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s5s8;d9;d3s10;s11;s12;d13;d2s13;s15;s16;d17;s17;s10;s6;s21;d22;s23;s24;d25;s26;d27;d24s28;d21s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.4649
Area:595.829
Solvation:-4.43086
Coulombic:-52.6857
Bond Count [?]
All:34
Single:22
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:398.407
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.87
LogP (Chemaxon):5.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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