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Chemical ID: 4231089
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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Experimental Annotations
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Descriptor Annotations
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