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Chemical ID: 5850805
Chemical ID:
5850805
Name [?]:
(3,5-dimethyl-1-piperidyl)-(2-iodophenyl)-methanone
SMILES [?]:
CC1CC(CN(C1)C(=O)c2ccccc2I)C
InChi [?]:
InChI=1/C14H18INO/c1-10-7-11(2)9-16(8-10)14(17)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,12,13,11,14,3,7,5,2,4,10,15,8,16,6,9/E:(1,2)(8,9)(10,11)/rA:17cCCCCCNCCOCCCCCCIC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18INO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.40868 |
Area: | 438.146 |
Solvation: | -1.54498 |
Coulombic: | -19.3601 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 343.203 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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