Chemical ID: 7969451

c1cc(ccc1c2cc(on2)NC(=O)CCl)Cl
Chemical ID:
7969451
Name [?]:
2-chloro-N-[3-(4-chlorophenyl)isoxazol-5-yl]-acetamide
SMILES [?]:
c1cc(ccc1c2cc(on2)NC(=O)CCl)Cl
InChi [?]:
InChI=1/C11H8Cl2N2O2/c12-6-10(16)14-11-5-9(15-17-11)7-1-3-8(13)4-2-7/h1-5H,6H2,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,15,6,3,7,13,9,16,17,12,11,14,10/E:(1,2)(3,4)/rA:17nCCCCCCCCCONNCOCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;d13;s13;s15;s3;/rC:-.0168,1.389,.0097;1.17,2.093,.0021;2.3782,1.4171,-.0135;2.402,.0329,-.0216;1.2204,-.6797,-.0142;.0021,-.0041,.002;-1.2718,-.766,.0106;-2.5851,-.2289,.0212;-3.3884,-1.3301,.0258;-2.5727,-2.3964,.0182;-1.4087,-2.0703,.0041;-4.776,-1.3459,.0362;-5.4365,-2.5207,.0396;-4.8182,-3.564,.0335;-6.9434,-2.5379,.051;-7.525,-4.2445,.053;3.868,2.3082,-.0235;

Chemical Details

Atom Count
Formula:C26H25N3O2
All Atoms:25
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.48575
Area:453.711
Solvation:-4.85703
Coulombic:-23.2898
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.099
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.21
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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