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Chemical ID: 6946977
Chemical ID:
6946977
Name [?]:
N-(4-morpholinophenyl)-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)COc2cc(c(cc2Cl)Cl)Cl)N3CCOCC3
InChi [?]:
InChI=1/C18H17Cl3N2O3/c19-14-9-16(21)17(10-15(14)20)26-11-18(24)22-12-1-3-13(4-2-12)23-5-7-25-8-6-23/h1-4,9-10H,5-8,11H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,22,26,23,25,16,13,10,6,3,15,14,17,12,8,19,20,18,7,21,9,24,11/E:(1,2)(3,4)(5,6)(7,8)/rA:26nCCCCCCNCOCOCCCCCCClClClNCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s14;s3;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17Cl3N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1306 |
Area: | 617.041 |
Solvation: | -6.29542 |
Coulombic: | -41.9556 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 415.697 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.35 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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