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Chemical ID: 5650248
Chemical ID:
5650248
Name [?]:
5-chloro-2-nitro-N-(4-phenylthiazol-2-yl)-benzamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)c3cc(ccc3[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C16H10ClN3O3S/c17-11-6-7-14(20(22)23)12(8-11)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:1,2,6,3,5,18,19,16,8,4,17,15,7,20,13,10,24,11,12,21,14,22,23,9/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;s20;d21;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClN3O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.03583 |
Area: | 544.543 |
Solvation: | -9.57775 |
Coulombic: | -36.1308 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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