Chemical ID: 4581090

COc1ccc(cc1)c2cc(=O)oc3c2ccc4c3CN(CO4)Cc5c(cccc5Cl)F
Chemical ID:
4581090
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2cc(=O)oc3c2ccc4c3CN(CO4)Cc5c(cccc5Cl)F
InChi [?]:
InChI=1/C25H19ClFNO4/c1-30-16-7-5-15(6-8-16)18-11-24(29)32-25-17(18)9-10-23-20(25)13-28(14-31-23)12-19-21(26)3-2-4-22(19)27/h2-11H,12-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,29,27,5,7,4,8,16,17,10,24,20,22,6,3,15,9,25,19,30,26,18,11,14,31,32,21,12,2,23,13/E:(5,6)(7,8)/rA:32cCOCCCCCCCCCOOCCCCCCCNCOCCCCCCCClF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s11;s13;s9s14;d15;s16;d17;d14s18;s19;s20;s21;s18s22;s21;s24;s25;d26;s27;d28;d25s29;s30;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19ClFNO4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.2418
Area:639.22
Solvation:-5.73868
Coulombic:-43.9642
Bond Count [?]
All:36
Single:25
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:451.874
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.63
LogP (Chemaxon):5.8

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Experimental Annotations

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Descriptor Annotations

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