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Chemical ID: 6482958
Chemical ID:
6482958
Name [?]:
4-oxazol-4-ylquinoline
SMILES [?]:
c1ccc2c(c1)c(ccn2)c3cocn3
InChi [?]:
InChI=1/C12H8N2O/c1-2-4-11-9(3-1)10(5-6-13-11)12-7-15-8-14-12/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,9,12,14,5,7,4,11,10,15,13/rA:15nCCCCCCCCCNCCOCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s7;d11;s12;s13;s11d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.36888 |
Area: | 352.457 |
Solvation: | -2.44253 |
Coulombic: | -18.0943 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 196.205 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.22 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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