Chemical ID: 7041811

c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)I)c5nccs5
Chemical ID:
7041811
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)I)c5nccs5
InChi [?]:
InChI=1/C20H11IN2O3S/c21-12-7-5-11(6-8-12)16-15-17(24)13-3-1-2-4-14(13)26-18(15)19(25)23(16)20-22-9-10-27-20/h1-10,16H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,21,18,20,25,26,16,19,5,4,9,15,7,10,12,23,22,24,14,8,13,11,27/E:(5,6)(7,8)/rA:27cCCCCCCCOCCOCONCCCCCCCICNCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s19;s14;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11IN2O3S
All Atoms:38
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.908
Area:573.818
Solvation:-3.43745
Coulombic:-40.9147
Bond Count [?]
All:31
Single:20
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:486.283
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.63
LogP (Chemaxon):4.59

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Descriptor Annotations

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