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Chemical ID: 7261511
Chemical ID:
7261511
Name [?]:
N-[2-(3-methylphenoxy)phenyl]-2-phenoxy-acetamide
SMILES [?]:
Cc1cccc(c1)Oc2ccccc2NC(=O)COc3ccccc3
InChi [?]:
InChI=1/C21H19NO3/c1-16-8-7-11-18(14-16)25-20-13-6-5-12-19(20)22-21(23)15-24-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,12,11,4,3,21,25,5,13,10,7,18,2,20,6,14,9,16,15,17,19,8/E:(3,4)(9,10)/rA:25nCCCCCCCOCCCCCCNCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19NO3 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67835 |
Area: | 558.498 |
Solvation: | -4.28409 |
Coulombic: | -38.9376 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 333.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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