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Chemical ID: 4168834
Chemical ID:
4168834
Name [?]:
4-quinoxalin-2-ylphenol
SMILES [?]:
c1ccc2c(c1)ncc(n2)c3ccc(cc3)O
InChi [?]:
InChI=1/C14H10N2O/c17-11-7-5-10(6-8-11)14-9-15-12-3-1-2-4-13(12)16-14/h1-9,17H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,16,13,15,8,11,14,5,4,9,7,10,17/E:(5,6)(7,8)/rA:17nCCCCCCNCCNCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55205 |
Area: | 397.561 |
Solvation: | -2.38699 |
Coulombic: | -28.4353 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 222.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.07 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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