Chemical ID: 4559230

Cc1cc2c(c3c(c(=O)o2)CCCC3)c4c1c(co4)C
Chemical ID:
4559230
Name [?]:
None
SMILES [?]:
Cc1cc2c(c3c(c(=O)o2)CCCC3)c4c1c(co4)C
InChi [?]:
InChI=1/C17H16O3/c1-9-7-13-15(16-14(9)10(2)8-19-16)11-5-3-4-6-12(11)17(18)20-13/h7-8H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,13,12,14,11,3,18,2,17,6,7,4,16,5,15,8,9,19,10/rA:20nCCCCCCCCOOCCCCCCCCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s4s8;s7;s11;s12;s6s13;d5;d2s15;s16;d17;s15s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.32938
Area:422.187
Solvation:-2.22529
Coulombic:-26.6158
Bond Count [?]
All:23
Single:17
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:268.307
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.49
LogP (Chemaxon):4.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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