Chemical ID: 6456600

c1ccc(c(c1)NC(=O)c2ccc(s2)Cl)I
Chemical ID:
6456600
Name [?]:
5-chloro-N-(2-iodophenyl)-thiophene-2-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(s2)Cl)I
InChi [?]:
InChI=1/C11H7ClINOS/c12-10-6-5-9(16-10)11(15)14-8-4-2-1-3-7(8)13/h1-6H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,12,4,5,10,13,8,15,16,7,9,14/rA:16nCCCCCCNCOCCCCSClI/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s11;d12;s10s13;s13;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7ClINOS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.88381
Area:447.133
Solvation:-1.29451
Coulombic:-24.1552
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:363.603
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.33
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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