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Chemical ID: 7221518
Chemical ID:
7221518
Name [?]:
5-ethyl-3-phenyl-4,5-dihydro-1,2,4-oxadiazole
SMILES [?]:
CCC1NC(=NO1)c2ccccc2
InChi [?]:
InChI=1/C10H12N2O/c1-2-9-11-10(12-13-9)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,13,8,3,5,4,6,7/E:(4,5)(6,7)/rA:13cCCCNCNOCCCCCC/rB:s1;s2;s3;s4;d5;s3s6;s5;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N2O |
All Atoms: | 25 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.85522 |
Area: | 351.927 |
Solvation: | -1.94296 |
Coulombic: | -19.0469 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 176.215 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.27 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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