Chemical ID: 4148130

c1ccc(cc1)c2csc(n2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])Cl
Chemical ID:
4148130
Name [?]:
4-chloro-3-nitro-N-(4-phenylthiazol-2-yl)-benzamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C16H10ClN3O3S/c17-12-7-6-11(8-14(12)20(22)23)15(21)19-16-18-13(9-24-16)10-4-2-1-3-5-10/h1-9H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,17,20,8,4,15,18,7,19,13,10,24,11,12,21,14,22,23,9/E:(2,3)(4,5)(22,23)/CRV:20.5/rA:24nCCCCCCCCSCNNCOCCCCCCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;d21;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClN3O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.26089
Area:551.078
Solvation:-8.51605
Coulombic:-38.3299
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:359.788
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.22
LogP (Chemaxon):4.92

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