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Chemical ID: 4687211
Chemical ID:
4687211
Name [?]:
4,4-dimethyl-2-styryl-5H-oxazole
SMILES [?]:
CC1(COC(=N1)C=Cc2ccccc2)C
InChi [?]:
InChI=1/C13H15NO/c1-13(2)10-15-12(14-13)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,12,11,13,10,14,8,7,3,9,5,2,6,4/E:(1,2)(4,5)(6,7)/rA:15nCCCOCNCCCCCCCCC/rB:s1;s2;s3;s4;s2d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16888 |
Area: | 370.727 |
Solvation: | -2.0993 |
Coulombic: | -15.9882 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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