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Chemical ID: 5520386
Chemical ID:
5520386
Name [?]:
3-methoxy-N-(3-phenoxyphenyl)-naphthalene-2-carboxamide
SMILES [?]:
COc1cc2ccccc2cc1C(=O)Nc3cccc(c3)Oc4ccccc4
InChi [?]:
InChI=1/C24H19NO3/c1-27-23-15-18-9-6-5-8-17(18)14-22(23)24(26)25-19-10-7-13-21(16-19)28-20-11-3-2-4-12-20/h2-16H,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,8,7,18,9,6,17,24,28,19,11,4,21,10,5,16,23,20,12,3,13,15,14,2,22/E:(3,4)(11,12)/rA:28nCOCCCCCCCCCCCONCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s5s9;d10;d3s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19NO3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4965 |
Area: | 582.747 |
Solvation: | -5.07219 |
Coulombic: | -37.7682 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.413 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.65 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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