Chemical ID: 6712116

Cc1cc([nH+]c(c1C#N)Nc2ccc(cc2Cl)Cl)C
Chemical ID:
6712116
Name [?]:
2-(2,4-dichlorophenyl)amino-4,6-dimethyl-1H-pyridine-3-carbonitrile
SMILES [?]:
Cc1cc([nH+]c(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)/p+1
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:19nCCCCN+CCCNNCCCCCCClClC/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:C14H12Cl2N3+
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-19.9163
Area:478.824
Solvation:-31.8869
Coulombic:-6.29085
Bond Count [?]
All:20
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:293.171
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.86
LogP (Chemaxon):4.17

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