Chemical ID: 6482958

c1ccc2c(c1)c(ccn2)c3cocn3
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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