Chemical ID: 5141184

c1ccc2c(ccc(c2c1)C#N)C#N
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

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Descriptor Annotations

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