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Chemical ID: 6177615
Chemical ID:
6177615
Name [?]:
N-(1-naphthyl)-5-nitro-thiophene-2-carboxamide
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)c3ccc(s3)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H10N2O3S/c18-15(13-8-9-14(21-13)17(19)20)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,15,16,5,4,10,14,17,12,11,19,13,20,21,18/E:(19,20)/CRV:17.5/rA:21nCCCCCCCCCCNCOCCCCSN+OO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;d14;s15;d16;s14s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10N2O3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.06979 |
Area: | 480.681 |
Solvation: | -7.94724 |
Coulombic: | -34.7178 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.318 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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