Chemical ID: 6543924

CC1=CC(=C(C#N)C#N)C=C(N1c2cccnc2)C
Chemical ID:
6543924
Name [?]:
2-[2,6-dimethyl-1-(3-pyridyl)-4-pyridylidene]propanedinitrile
SMILES [?]:
CC1=CC(=C(C#N)C#N)C=C(N1c2cccnc2)C
InChi [?]:
InChI=1/C15H12N4/c1-11-6-13(14(8-16)9-17)7-12(2)19(11)15-4-3-5-18-10-15/h3-7,10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,15,14,16,3,10,6,8,18,2,11,4,5,13,7,9,17,12/E:(1,2)(6,7)(8,9)(11,12)(16,17)/rA:19nCCCCCCNCNCCNCCCCNCC/rB:s1;d2;s3;d4;s5;t6;s5;t8;s4;d10;s2s11;s12;s13;d14;s15;d16;d13s17;s11;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.00384
Area:453.449
Solvation:-2.33239
Coulombic:-15.9451
Bond Count [?]
All:20
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:248.283
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.04
LogP (Chemaxon):0.69

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Descriptor Annotations

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