Chemical ID: 6689266

c1cc(ccc1CC#N)C#N
Chemical ID:
6689266
Name [?]:
4-(cyanomethyl)benzonitrile
SMILES [?]:
c1cc(ccc1CC#N)C#N
InChi [?]:
InChI=1/C9H6N2/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,8,10,6,3,9,11/E:(1,2)(3,4)/rA:11nCCCCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s6;s7;t8;s3;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.35423
Area:329.443
Solvation:-1.88185
Coulombic:-6.58628
Bond Count [?]
All:11
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:142.157
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.28
LogP (Chemaxon):1.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue