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Chemical ID: 4717097
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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