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Chemical ID: 3993015
Chemical ID:
3993015
Name [?]:
2-(4-pyridyl)quinoline-4-carbohydrazide
SMILES [?]:
c1ccc2c(c1)c(cc(n2)c3ccncc3)C(=O)NN
InChi [?]:
InChI=1/C15H12N4O/c16-19-15(20)12-9-14(10-5-7-17-8-6-10)18-13-4-2-1-3-11(12)13/h1-9H,16H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,16,13,15,8,11,5,7,4,9,17,20,14,10,19,18/E:(5,6)(7,8)/rA:20nCCCCCCCCCNCCCNCCCONN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s7;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N4O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.66378 |
Area: | 448.35 |
Solvation: | -3.54496 |
Coulombic: | -37.9008 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 264.282 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.31 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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