Chemical ID: 5572029

Cc1cnc(s1)NC(=O)c2ccc(cc2Cl)[N+](=O)[O-]
Chemical ID:
5572029
Name [?]:
2-chloro-N-(5-methylthiazol-2-yl)-4-nitro-benzamide
SMILES [?]:
Cc1cnc(s1)NC(=O)c2ccc(cc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H8ClN3O3S/c1-6-5-13-11(19-6)14-10(16)8-3-2-7(15(17)18)4-9(8)12/h2-5H,1H3,(H,13,14,16)
InChi Info:
AuxInfo=1/1/N:1,12,11,14,3,2,13,10,15,8,5,16,4,7,17,9,18,19,6/E:(17,18)/CRV:15.5/rA:19nCCCNCSNCOCCCCCCClN+OO-/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8ClN3O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:2.86827
Area:473.052
Solvation:-8.95802
Coulombic:-35.1795
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:297.718
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.81
LogP (Chemaxon):2.83

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Descriptor Annotations

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