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Chemical ID: 7088484
Chemical ID:
7088484
Name [?]:
4-(4-piperidyl)benzonitrile
SMILES [?]:
c1cc(ccc1C#N)C2CCNCC2
InChi [?]:
InChI=1/C12H14N2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,12,14H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,14,11,13,7,6,3,9,8,12/E:(1,2)(3,4)(5,6)(7,8)/rA:14nCCCCCCCNCCCNCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2 |
All Atoms: | 28 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96189 |
Area: | 372.34 |
Solvation: | -1.34661 |
Coulombic: | -13.5633 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 186.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.79 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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