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Chemical ID: 4531860
Chemical ID:
4531860
Name [?]:
2-(2,4-dichlorophenyl)amino-4,6-dimethyl-pyridine-3-carbonitrile
SMILES [?]:
Cc1cc(nc(c1C#N)Nc2ccc(cc2Cl)Cl)C
InChi [?]:
InChI=1/C14H11Cl2N3/c1-8-5-9(2)18-14(11(8)7-17)19-13-4-3-10(15)6-12(13)16/h3-6H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,13,12,3,15,8,2,4,14,7,16,11,6,18,17,9,5,10/rA:19nCCCCNCCCNNCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s7;t8;s6;s10;s11;d12;s13;d14;d11s15;s16;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2N3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4227 |
Area: | 475.973 |
Solvation: | -1.4766 |
Coulombic: | -21.4786 |
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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