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Chemical ID: 5623318
Chemical ID:
5623318
Name [?]:
2-(4-bromophenoxy)-N-(3-chlorophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)COc2ccc(cc2)Br
InChi [?]:
InChI=1/C14H11BrClNO2/c15-10-4-6-13(7-5-10)19-9-14(18)17-12-3-1-2-11(16)8-12/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,17,14,18,4,11,16,5,3,13,9,19,7,8,10,12/E:(4,5)(6,7)/rA:19nCCCCCCClNCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11BrClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33667 |
Area: | 488.83 |
Solvation: | -3.88408 |
Coulombic: | -29.158 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 340.599 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.1 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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