Chemical ID: 6177615

c1ccc2c(c1)cccc2NC(=O)c3ccc(s3)[N+](=O)[O-]
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

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