Chemical ID: 4560449

Cc1c(oc2c1cc3c(c2)oc(=O)c4c3CCCC4)C
Chemical ID:
4560449
Name [?]:
None
SMILES [?]:
Cc1c(oc2c1cc3c(c2)oc(=O)c4c3CCCC4)C
InChi [?]:
InChI=1/C17H16O3/c1-9-10(2)19-15-8-16-14(7-13(9)15)11-5-3-4-6-12(11)17(18)20-16/h7-8H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,17,18,16,19,7,10,2,3,15,14,6,8,5,9,12,13,4,11/rA:20nCCCOCCCCCCOCOCCCCCCC/rB:s1;d2;s3;s4;s2s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8d14;s15;s16;s17;s14s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.21976
Area:434.004
Solvation:-2.63033
Coulombic:-25.8643
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:3.28
LogP (Chemaxon):4.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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