Chemical ID: 4231089

Cc1cc(=O)oc2c1ccc3c2c(c(o3)C(=O)c4ccc(cc4)OC)C
Chemical ID:
4231089
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1ccc3c2c(c(o3)C(=O)c4ccc(cc4)OC)C
InChi [?]:
InChI=1/C21H16O5/c1-11-10-17(22)26-21-15(11)8-9-16-18(21)12(2)20(25-16)19(23)13-4-6-14(24-3)7-5-13/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,25,19,23,20,22,9,10,3,2,13,18,21,8,11,4,12,16,14,7,5,17,24,15,6/E:(4,5)(6,7)/rA:26nCCCCOOCCCCCCCCOCOCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;d13;s11s14;s14;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.21291
Area:533.399
Solvation:-4.12207
Coulombic:-44.1474
Bond Count [?]
All:29
Single:19
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.349
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.8
LogP (Chemaxon):4.36

Name Annotations

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Descriptor Annotations

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