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Chemical ID: 4462875
Chemical ID:
4462875
Name [?]:
4-(1-piperidylcarbonylmethoxy)benzonitrile
SMILES [?]:
c1cc(ccc1C#N)OCC(=O)N2CCCCC2
InChi [?]:
InChI=1/C14H16N2O2/c15-10-12-4-6-13(7-5-12)18-11-14(17)16-8-2-1-3-9-16/h4-7H,1-3,8-9,11H2
InChi Info:
AuxInfo=1/0/N:16,15,17,1,5,2,4,14,18,7,10,6,3,11,8,13,12,9/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCNOCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.05544 |
Area: | 451.047 |
Solvation: | -4.22074 |
Coulombic: | -26.9015 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 244.289 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.84 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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