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Chemical ID: 6913433
Chemical ID:
6913433
Name [?]:
4-(o-tolyl)benzonitrile
SMILES [?]:
Cc1ccccc1c2ccc(cc2)C#N
InChi [?]:
InChI=1/C14H11N/c1-11-4-2-3-5-14(11)13-8-6-12(10-15)7-9-13/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,10,12,9,13,14,2,11,8,7,15/E:(6,7)(8,9)/rA:15nCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;d8s12;s11;t14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11N |
All Atoms: | 26 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.39295 |
Area: | 382.164 |
Solvation: | -1.16116 |
Coulombic: | -6.5374 |
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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