Chemical ID: 7965127

Cc1ccc(cc1)c2cc(c3c(n2)-c4cc(ccc4OC3)F)c5coc6ccc(cc6c5=O)Cl
Chemical ID:
7965127
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2cc(c3c(n2)-c4cc(ccc4OC3)F)c5coc6ccc(cc6c5=O)Cl
InChi [?]:
InChI=1/C28H17ClFNO3/c1-15-2-4-16(5-3-15)24-12-19(23-14-34-26-8-6-17(29)10-21(26)28(23)32)22-13-33-25-9-7-18(30)11-20(25)27(22)31-24/h2-12,14H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,28,17,27,18,30,15,9,21,24,2,5,29,16,10,14,31,11,23,8,19,26,12,32,34,22,13,33,20,25/E:(2,3)(4,5)/rA:34nCCCCCCCCCCCCNCCCCCCOCFCCOCCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s12;s14;d15;s16;d17;d14s18;s19;s11s20;s16;s10;d23;s24;s25;s26;d27;s28;d29;d26s30;s23s31;d32;s29;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6865,-1.2012;.0244,-2.0665,-1.2147;.0401,-2.7723,-.0132;.0368,-2.0796,1.1959;.0229,-.6995,1.1976;.0597,-4.2558,-.0214;.0694,-4.9471,1.1854;.0892,-6.3471,1.1744;.0973,-6.9874,-.059;.084,-6.2213,-1.2289;.0622,-4.9041,-1.1823;.0864,-6.9884,-2.4982;.441,-6.3988,-3.7028;.4462,-7.1572,-4.8602;.0997,-8.4982,-4.8093;-.2611,-9.0872,-3.6138;-.281,-8.3395,-2.444;-.6809,-8.9101,-1.2859;.1218,-8.4836,-.1946;.788,-6.5911,-6.0383;.1014,-7.1217,2.4382;-.9606,-7.0822,3.2862;-.9899,-7.7639,4.4327;.0214,-8.5491,4.8541;-.0717,-9.2347,6.0609;.9684,-10.0348,6.4811;2.1168,-10.1678,5.712;2.2298,-9.4973,4.5127;1.1834,-8.685,4.0778;1.2616,-7.9544,2.7976;2.2401,-8.0331,2.0756;3.4144,-11.1812,6.2625;

Chemical Details

Atom Count
Formula:C12H23NO
All Atoms:51
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.2366
Area:669.275
Solvation:-4.49532
Coulombic:-34.5497
Bond Count [?]
All:56
Single:42
Double:14
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:469.891
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.17
LogP (Chemaxon):7.31

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Descriptor Annotations

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