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Chemical ID: 4331312
Chemical ID:
4331312
Name [?]:
N-(4-butylphenyl)-N'-[(2-hydroxy-1-naphthyl)methyleneamino]oxamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)C(=O)NN=Cc2c3ccccc3ccc2O
InChi [?]:
InChI=1/C23H23N3O3/c1-2-3-6-16-9-12-18(13-10-16)25-22(28)23(29)26-24-15-20-19-8-5-4-7-17(19)11-14-21(20)27/h4-5,7-15,27H,2-3,6H2,1H3,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,3,23,22,4,24,21,6,10,26,7,9,27,18,5,25,8,20,19,28,12,14,17,11,16,29,13,15/E:(9,10)(12,13)/rA:29nCCCCCCCCCCNCOCONNCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s14;s16;w17;s18;s19;s20;d21;s22;d23;d20s24;s25;d26;d19s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1128 |
Area: | 631.563 |
Solvation: | -3.67626 |
Coulombic: | -62.7349 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 389.447 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 5.92 |
LogP (Chemaxon): | 5.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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