Chemical ID: 4489063

c1cc2c(c(c1)Cl)nc(s2)NC(=O)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4489063
Name [?]:
N-(4-chlorobenzothiazol-2-yl)-4-nitro-benzamide
SMILES [?]:
c1cc2c(c(c1)Cl)nc(s2)NC(=O)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H8ClN3O3S/c15-10-2-1-3-11-12(10)16-14(22-11)17-13(19)8-4-6-9(7-5-8)18(20)21/h1-7H,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,19,16,18,14,17,5,3,4,12,9,7,8,11,20,13,21,22,10/E:(4,5)(6,7)(20,21)/CRV:18.5/rA:22nCCCCCCClNCSNCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s3s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8ClN3O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:4.99586
Area:516.159
Solvation:-7.90812
Coulombic:-39.7023
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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