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Chemical ID: 6179814
Chemical ID:
6179814
Name [?]:
N-(4-fluorophenyl)-5-nitro-thiophene-2-carboxamide
SMILES [?]:
c1cc(ccc1NC(=O)c2ccc(s2)[N+](=O)[O-])F
InChi [?]:
InChI=1/C11H7FN2O3S/c12-7-1-3-8(4-2-7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,11,12,3,6,10,13,8,18,7,15,9,16,17,14/E:(1,2)(3,4)(16,17)/CRV:14.5/rA:18nCCCCCCNCOCCCCSN+OO-F/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;d10;s11;d12;s10s13;s13;d15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7FN2O3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.13289 |
Area: | 434.142 |
Solvation: | -8.72067 |
Coulombic: | -36.5081 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 266.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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