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Chemical ID: 5141184
Chemical ID:
5141184
Name [?]:
naphthalene-1,4-dicarbonitrile
SMILES [?]:
c1ccc2c(ccc(c2c1)C#N)C#N
InChi [?]:
InChI=1/C12H6N2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,10,3,7,6,11,13,8,5,9,4,12,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCCCCCCCCCNCN/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s8;t11;s5;t13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H6N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.51816 |
Area: | 357.553 |
Solvation: | -1.42066 |
Coulombic: | -8.57882 |
Bond Count [?]
All: | 15 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 178.19 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.73 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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