Chemical ID: 7005392

c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)Nc3nccs3
Chemical ID:
7005392
Name [?]:
5-(2-chloro-4-nitro-phenyl)-N-thiazol-2-yl-furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)Nc3nccs3
InChi [?]:
InChI=1/C14H8ClN3O4S/c15-10-7-8(18(20)21)1-2-9(10)11-3-4-12(22-11)13(19)17-14-16-5-6-23-14/h1-7H,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,21,22,5,6,3,4,11,14,16,19,10,20,18,7,17,8,9,15,23/E:(20,21)/CRV:18.5/rA:23nCCCCCCN+OO-ClCCCCOCONCNCCS/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s3;d11;s12;d13;s11s14;s14;d16;s16;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8ClN3O4S
All Atoms:31
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.95092
Area:538.891
Solvation:-8.52134
Coulombic:-45.9977
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.75
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.61
LogP (Chemaxon):3.23

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