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Chemical ID: 5792482
Chemical ID:
5792482
Name [?]:
4-(1-piperidylcarbonylmethoxy)benzaldehyde
SMILES [?]:
c1cc(ccc1C=O)OCC(=O)N2CCCCC2
InChi [?]:
InChI=1/C14H17NO3/c16-10-12-4-6-13(7-5-12)18-11-14(17)15-8-2-1-3-9-15/h4-7,10H,1-3,8-9,11H2
InChi Info:
AuxInfo=1/0/N:16,15,17,1,5,2,4,14,18,7,10,6,3,11,13,8,12,9/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCOOCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.8232 |
Area: | 446.349 |
Solvation: | -5.33553 |
Coulombic: | -30.2785 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 247.29 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.81 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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