Chemical ID: 4717097

Cc1ccc(cc1)c2ccccc2C#N
Chemical ID:
4717097
Name [?]:
2-(p-tolyl)benzonitrile
SMILES [?]:
Cc1ccc(cc1)c2ccccc2C#N
InChi [?]:
InChI=1/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,3,7,4,6,14,2,5,13,8,15/E:(6,7)(8,9)/rA:15nCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.23301
Area:374.961
Solvation:-1.14102
Coulombic:-6.65882
Bond Count [?]
All:16
Single:9
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:193.244
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.12
LogP (Chemaxon):4.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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