Chemical ID: 4100106

Cc1c2cc3c(cc2oc(=O)c1CC(=O)O)oc4c3CCCC4
Chemical ID:
4100106
Name [?]:
None
SMILES [?]:
Cc1c2cc3c(cc2oc(=O)c1CC(=O)O)oc4c3CCCC4
InChi [?]:
InChI=1/C18H16O5/c1-9-11-6-13-10-4-2-3-5-14(10)22-16(13)8-15(11)23-18(21)12(9)7-17(19)20/h6,8H,2-5,7H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,4,13,7,2,19,3,12,5,18,8,6,14,10,15,16,11,17,9/E:(19,20)/rA:23nCCCCCCCCOCOCCCOOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;d14;s14;s6;s17;s5d18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.02828
Area:481.775
Solvation:-4.01609
Coulombic:-50.2828
Bond Count [?]
All:26
Single:19
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:312.317
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.27
LogP (Chemaxon):3.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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