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Chemical ID: 6543924
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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