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Chemical ID: 4527847
Chemical ID:
4527847
Name [?]:
(2-iodophenyl)-(2-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCCCN1C(=O)c2ccccc2I
InChi [?]:
InChI=1/C13H16INO/c1-10-6-4-5-9-15(10)13(16)11-7-2-3-8-12(11)14/h2-3,7-8,10H,4-6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,4,5,3,11,14,6,2,10,15,8,16,7,9/rA:16cCCCCCCNCOCCCCCCI/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16INO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.66584 |
Area: | 402.217 |
Solvation: | -1.38958 |
Coulombic: | -18.7646 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 329.177 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.96 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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