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Chemical ID: 6410348
Chemical ID:
6410348
Name [?]:
N-[(2-allyloxy-5-bromo-phenyl)methyleneamino]-2-(3-chlorophenoxy)-acetamide
SMILES [?]:
C=CCOc1ccc(cc1C=NNC(=O)COc2cccc(c2)Cl)Br
InChi [?]:
InChI=1/C18H16BrClN2O3/c1-2-8-24-17-7-6-14(19)9-13(17)11-21-22-18(23)12-25-16-5-3-4-15(20)10-16/h2-7,9-11H,1,8,12H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,7,6,3,9,23,11,16,10,8,22,18,5,14,25,24,12,13,15,4,17/rA:25nCCCOCCCCCCCNNCOCOCCCCCCClBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16BrClN2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99262 |
Area: | 611.552 |
Solvation: | -6.29619 |
Coulombic: | -35.2206 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 423.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.63 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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