Chemical ID: 4560163

CCCc1cc(=O)oc2c1c3c(c(c2)C)c(co3)c4ccc(cc4)F
Chemical ID:
4560163
Name [?]:
None
SMILES [?]:
CCCc1cc(=O)oc2c1c3c(c(c2)C)c(co3)c4ccc(cc4)F
InChi [?]:
InChI=1/C21H17FO3/c1-3-4-14-10-18(23)25-17-9-12(2)19-16(11-24-21(19)20(14)17)13-5-7-15(22)8-6-13/h5-11H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,3,20,24,21,23,14,5,17,13,19,4,22,16,9,6,12,10,11,25,7,18,8/E:(5,6)(7,8)/rA:25nCCCCCCOOCCCCCCCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;d12;d9s13;s13;s12;d16;s11s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17FO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.14155
Area:506.701
Solvation:-3.52598
Coulombic:-31.1704
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:336.356
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.66
LogP (Chemaxon):6.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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