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Chemical ID: 6490532
Chemical ID:
6490532
Name [?]:
N-(4-chlorophenyl)-4-(4-cyanophenoxy)-benzamide
SMILES [?]:
c1cc(ccc1C#N)Oc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H13ClN2O2/c21-16-5-7-17(8-6-16)23-20(24)15-3-11-19(12-4-15)25-18-9-1-14(13-22)2-10-18/h1-12H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,5,12,14,21,23,20,24,2,4,11,15,7,6,13,22,19,3,10,16,25,8,18,17,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCNOCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13ClN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0939 |
Area: | 572.786 |
Solvation: | -3.22578 |
Coulombic: | -34.3087 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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