Chemical ID: 6689264

CCc1ccc(cc1)C#N
Chemical ID:
6689264
Name [?]:
4-ethylbenzonitrile
SMILES [?]:
CCc1ccc(cc1)C#N
InChi [?]:
InChI=1/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,9,3,6,10/E:(3,4)(5,6)/rA:10nCCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.904
Area:309.416
Solvation:-0.831409
Coulombic:-5.36931
Bond Count [?]
All:10
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:131.174
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.65
LogP (Chemaxon):2.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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