Chemical ID: 5650244

c1ccc2c(c1)nc(s2)NC(=O)c3cc(ccc3[N+](=O)[O-])Cl
Chemical ID:
5650244
Name [?]:
N-benzothiazol-2-yl-5-chloro-2-nitro-benzamide
SMILES [?]:
c1ccc2c(c1)nc(s2)NC(=O)c3cc(ccc3[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C14H8ClN3O3S/c15-8-5-6-11(18(20)21)9(7-8)13(19)17-14-16-10-3-1-2-4-12(10)22-14/h1-7H,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,14,15,13,5,18,4,11,8,22,7,10,19,12,20,21,9/E:(20,21)/CRV:18.5/rA:22nCCCCCCNCSNCOCCCCCCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d19;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8ClN3O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.13226
Area:498.449
Solvation:-9.32896
Coulombic:-35.8398
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:333.75
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.29
LogP (Chemaxon):4.61

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