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Chemical ID: 6680424
Chemical ID:
6680424
Name [?]:
N-(2-oxotetrahydrofuran-3-yl)heptanamide
SMILES [?]:
CCCCCCC(=O)NC1CCOC1=O
InChi [?]:
InChI=1/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,11,12,10,7,14,9,8,15,13/rA:15cCCCCCCCONCCCOCO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s10s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.53202 |
Area: | 424.122 |
Solvation: | -4.07104 |
Coulombic: | -38.203 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 213.273 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.62 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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