Chemical ID: 7113699

CCOc1cccc(c1)CNc2ccc(cc2)I
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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