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Chemical ID: 6603949
Chemical ID:
6603949
Name [?]:
2-chloro-N-(5-chloro-2-phenoxy-phenyl)-acetamide
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2NC(=O)CCl)Cl
InChi [?]:
InChI=1/C14H11Cl2NO2/c15-9-14(18)17-12-8-10(16)6-7-13(12)19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,9,12,17,11,4,13,8,15,18,19,14,16,7/E:(2,3)(4,5)/rA:19nCCCCCCOCCCCCCNCOCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;s11;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09042 |
Area: | 478.022 |
Solvation: | -2.86013 |
Coulombic: | -29.9617 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.148 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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