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Chemical ID: 4943260
Chemical ID:
4943260
Name [?]:
2-(4-methyl-4,5-dihydrooxazol-2-yl)pyridine
SMILES [?]:
CC1COC(=N1)c2ccccn2
InChi [?]:
InChI=1/C9H10N2O/c1-7-6-12-9(11-7)8-4-2-3-5-10-8/h2-5,7H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,11,3,2,7,5,12,6,4/rA:12cCCCOCNCCCCCN/rB:s1;s2;s3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.52506 |
Area: | 328.155 |
Solvation: | -2.67881 |
Coulombic: | -20.2253 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 162.189 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.32 |
LogP (Chemaxon): | 1.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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