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Chemical ID: 5068586
Chemical ID:
5068586
Name [?]:
2-(3,5-dichlorophenyl)amino-4,6-dimethyl-pyridine-3-carbonitrile
SMILES [?]:
Cc1cc(nc(c1C#N)Nc2cc(cc(c2)Cl)Cl)C
InChi [?]:
InChI=1/C14H11Cl2N3/c1-8-3-9(2)18-14(13(8)7-17)19-12-5-10(15)4-11(16)6-12/h3-6H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,3,14,12,16,8,2,4,13,15,11,7,6,18,17,9,5,10/E:(5,6)(10,11)(15,16)/rA:19nCCCCNCCCNNCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s7;t8;s6;s10;s11;d12;s13;d14;d11s15;s15;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2N3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5691 |
Area: | 481.702 |
Solvation: | -1.47341 |
Coulombic: | -21.0115 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 292.163 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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