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Chemical ID: 4147401
Chemical ID:
4147401
Name [?]:
methyl 4-benzofuran-2-ylcarbonylaminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)c2cc3ccccc3o2
InChi [?]:
InChI=1/C17H13NO4/c1-21-17(20)11-6-8-13(9-7-11)18-16(19)15-10-12-4-2-3-5-14(12)22-15/h2-10H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,20,6,10,7,9,15,5,16,8,21,14,12,3,11,13,4,2,22/E:(6,7)(8,9)/rA:22nCOCOCCCCCCNCOCCCCCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s15;s16;d17;s18;d19;d16s20;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69184 |
Area: | 500.534 |
Solvation: | -2.82151 |
Coulombic: | -51.5637 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.289 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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