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Chemical ID: 4858703
Chemical ID:
4858703
Name [?]:
3-[5-methyl-2-(2-pyridyl)pyrazol-3-yl]aminoquinoxalin-2-ol
SMILES [?]:
Cc1cc(n(n1)c2ccccn2)Nc3c(nc4ccccc4n3)O
InChi [?]:
InChI=1/C17H14N6O/c1-11-10-15(23(22-11)14-8-4-5-9-18-14)21-16-17(24)20-13-7-3-2-6-12(13)19-16/h2-10H,1H3,(H,19,21)(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,20,19,9,10,21,18,8,11,3,2,22,17,7,4,14,15,12,23,16,13,6,5,24/rA:24nCCCCNNCCCCCNNCCNCCCCCCNO/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;d14s22;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N6O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.40149 |
Area: | 502.153 |
Solvation: | -3.15234 |
Coulombic: | -51.7705 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 318.333 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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