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Chemical ID: 4175666
Chemical ID:
4175666
Name [?]:
N-(2-furylmethyl)-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)NCc2ccco2
InChi [?]:
InChI=1/C13H13NO2/c1-10-5-2-3-7-12(10)13(15)14-9-11-6-4-8-16-11/h2-8H,9H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,5,14,3,13,6,15,11,2,12,7,8,10,9,16/rA:16nCCCCCCCCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.5696 |
Area: | 405.318 |
Solvation: | -2.56334 |
Coulombic: | -29.8941 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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