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Chemical ID: 7113699
Chemical ID:
7113699
Name [?]:
N-[(3-ethoxyphenyl)methyl]-4-iodo-aniline
SMILES [?]:
CCOc1cccc(c1)CNc2ccc(cc2)I
InChi [?]:
InChI=1/C15H16INO/c1-2-18-15-5-3-4-12(10-15)11-17-14-8-6-13(16)7-9-14/h3-10,17H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,5,14,16,13,17,9,10,8,15,12,4,18,11,3/E:(6,7)(8,9)/rA:18nCCOCCCCCCCNCCCCCCI/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16INO |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82676 |
Area: | 487.906 |
Solvation: | -2.37088 |
Coulombic: | -21.2317 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 353.198 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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