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Chemical ID: 7297053
Chemical ID:
7297053
Name [?]:
N-(4-chlorophenyl)-2-(4-cyano-2-methoxy-phenoxy)-acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)Nc2ccc(cc2)Cl)C#N
InChi [?]:
InChI=1/C16H13ClN2O3/c1-21-15-8-11(9-18)2-7-14(15)22-10-16(20)19-13-5-3-12(17)4-6-13/h2-8H,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,6,16,18,15,19,7,4,21,10,5,17,14,8,3,11,20,22,13,12,2,9/E:(3,4)(5,6)/rA:22nCOCCCCCCOCCONCCCCCCClCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s5;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClN2O3 |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.55899 |
Area: | 535.629 |
Solvation: | -6.83174 |
Coulombic: | -37.3365 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 316.739 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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