Chemical ID: 4566540

CCCCc1cc(=O)oc2c1c3c(c(c2)C)c(co3)c4ccc(cc4)F
Chemical ID:
4566540
Name [?]:
None
SMILES [?]:
CCCCc1cc(=O)oc2c1c3c(c(c2)C)c(co3)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H19FO3/c1-3-4-5-15-11-19(24)26-18-10-13(2)20-17(12-25-22(20)21(15)18)14-6-8-16(23)9-7-14/h6-12H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,3,4,21,25,22,24,15,6,18,14,20,5,23,17,10,7,13,11,12,26,8,19,9/E:(6,7)(8,9)/rA:26nCCCCCCCOOCCCCCCCCCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s5s10;d11;s12;d13;d10s14;s14;s13;d17;s12s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19FO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.7575
Area:531.984
Solvation:-3.54212
Coulombic:-31.4747
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.383
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.23
LogP (Chemaxon):6.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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