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Chemical ID: 5848724
Chemical ID:
5848724
Name [?]:
methyl 2-[2-(3-methoxyphenoxy)acetyl]aminobenzoate
SMILES [?]:
COc1cccc(c1)OCC(=O)Nc2ccccc2C(=O)OC
InChi [?]:
InChI=1/C17H17NO5/c1-21-12-6-5-7-13(10-12)23-11-16(19)18-15-9-4-3-8-14(15)17(20)22-2/h3-10H,11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,23,17,16,5,4,6,18,15,8,10,3,7,19,14,11,20,13,12,21,2,22,9/rA:23nCOCCCCCCOCCONCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59476 |
Area: | 528.375 |
Solvation: | -5.61461 |
Coulombic: | -55.4386 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 315.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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