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Chemical ID: 4663707
Chemical ID:
4663707
Name [?]:
5-ethoxy-3-phenoxy-isoxazole
SMILES [?]:
CCOc1cc(no1)Oc2ccccc2
InChi [?]:
InChI=1/C11H11NO3/c1-2-13-11-8-10(12-15-11)14-9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,11,15,5,10,6,4,7,3,9,8/E:(4,5)(6,7)/rA:15nCCOCCCNOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48514 |
Area: | 382.176 |
Solvation: | -2.06926 |
Coulombic: | -24.3718 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.21 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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