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Chemical ID: 7413123
Chemical ID:
7413123
Name [?]:
methyl 2-[2-(4-formylphenoxy)acetyl]aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C17H15NO5/c1-22-17(21)14-4-2-3-5-15(14)18-16(20)11-23-13-8-6-12(10-19)7-9-13/h2-10H,11H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,18,20,17,21,22,14,19,16,5,10,12,3,11,23,13,4,2,15/E:(6,7)(8,9)/rA:23nCOCOCCCCCCNCOCOCCCCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15NO5 |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.30797 |
Area: | 529.039 |
Solvation: | -5.91801 |
Coulombic: | -54.8766 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 313.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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