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Chemical ID: 4516581
Chemical ID:
4516581
Name [?]:
N-(2-furylmethyl)furan-2-carboxamide
SMILES [?]:
c1cc(oc1)CNC(=O)c2ccco2
InChi [?]:
InChI=1/C10H9NO3/c12-10(9-4-2-6-14-9)11-7-8-3-1-5-13-8/h1-6H,7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,5,13,6,3,10,8,7,9,4,14/rA:14nCCCOCCNCOCCCCO/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.14808 |
Area: | 371.373 |
Solvation: | -3.13625 |
Coulombic: | -36.797 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.183 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.53 |
LogP (Chemaxon): | 0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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