Chemical ID: 7413123

COC(=O)c1ccccc1NC(=O)COc2ccc(cc2)C=O
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

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Descriptor Annotations

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