Chemical ID: 6217774

c1cc(ccc1c2csc(n2)NC(=O)c3ccc(s3)[N+](=O)[O-])I
Chemical ID:
6217774
Name [?]:
N-[4-(4-iodophenyl)thiazol-2-yl]-5-nitro-thiophene-2-carboxamide
SMILES [?]:
c1cc(ccc1c2csc(n2)NC(=O)c3ccc(s3)[N+](=O)[O-])I
InChi [?]:
InChI=1/C14H8IN3O3S2/c15-9-3-1-8(2-4-9)10-7-22-14(16-10)17-13(19)11-5-6-12(23-11)18(20)21/h1-7H,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,17,8,6,3,7,15,18,13,10,23,11,12,20,14,21,22,9,19/E:(1,2)(3,4)(20,21)/CRV:18.5/rA:23nCCCCCCCCSCNNCOCCCCSN+OO-I/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;d15;s16;d17;s15s18;s18;d20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8IN3O3S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:5.9623
Area:574.391
Solvation:-8.39746
Coulombic:-39.48
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:457.268
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.69
LogP (Chemaxon):4.73

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Descriptor Annotations

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