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Chemical ID: 4298790
Chemical ID:
4298790
Name [?]:
methyl 2-(2-phenoxyacetyl)aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)COc2ccccc2
InChi [?]:
InChI=1/C16H15NO4/c1-20-16(19)13-9-5-6-10-14(13)17-15(18)11-21-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,7,8,17,21,6,9,14,16,5,10,12,3,11,13,4,2,15/E:(3,4)(7,8)/rA:21nCOCOCCCCCCNCOCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.95023 |
Area: | 490.138 |
Solvation: | -4.30322 |
Coulombic: | -49.1632 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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