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Chemical ID: 4365782
Chemical ID:
4365782
Name [?]:
3-ethoxy-N-(2-furylmethyl)benzamide
SMILES [?]:
CCOc1cccc(c1)C(=O)NCc2ccco2
InChi [?]:
InChI=1/C14H15NO3/c1-2-17-12-6-3-5-11(9-12)14(16)15-10-13-7-4-8-18-13/h3-9H,2,10H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,7,5,15,17,9,13,8,4,14,10,12,11,3,18/rA:18nCCOCCCCCCCONCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s12;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41136 |
Area: | 456.04 |
Solvation: | -3.98964 |
Coulombic: | -36.1214 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 245.274 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.17 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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