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Chemical ID: 6217324
Chemical ID:
6217324
Name [?]:
2-chloro-N-[4-(4-fluorophenyl)thiazol-2-yl]-5-nitro-benzamide
SMILES [?]:
c1cc(ccc1c2csc(n2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-])F
InChi [?]:
InChI=1/C16H9ClFN3O3S/c17-13-6-5-11(21(23)24)7-12(13)15(22)20-16-19-14(8-25-16)9-1-3-10(18)4-2-9/h1-8H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,18,19,16,8,6,3,17,15,20,7,13,10,21,25,11,12,22,14,23,24,9/E:(1,2)(3,4)(23,24)/CRV:21.5/rA:25nCCCCCCCCSCNNCOCCCCCCClN+OO-F/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s17;d22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9ClFN3O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.26549 |
Area: | 558.289 |
Solvation: | -9.69173 |
Coulombic: | -40.406 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 377.778 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.38 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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