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Chemical ID: 6245643
Chemical ID:
6245643
Name [?]:
N-[5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl]pentanamide
SMILES [?]:
CCCCC(=O)Nc1nnc(o1)C2=COCCO2
InChi [?]:
InChI=1/C11H15N3O4/c1-2-3-4-9(15)12-11-14-13-10(18-11)8-7-16-5-6-17-8/h7H,2-6H2,1H3,(H,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,16,17,14,13,5,11,8,7,10,9,6,15,18,12/rA:18nCCCCCONCNNCOCCOCCO/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s11;d13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N3O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.15313 |
Area: | 452.862 |
Solvation: | -4.16841 |
Coulombic: | -50.5697 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 253.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.62 |
LogP (Chemaxon): | -0.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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