Chemical ID: 7257100

CC(=O)c1ccccc1NC(=O)c2ccc(s2)[N+](=O)[O-]
Chemical ID:
7257100
Name [?]:
N-(2-acetylphenyl)-5-nitro-thiophene-2-carboxamide
SMILES [?]:
CC(=O)c1ccccc1NC(=O)c2ccc(s2)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H10N2O4S/c1-8(16)9-4-2-3-5-10(9)14-13(17)11-6-7-12(20-11)15(18)19/h2-7H,1H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,14,15,2,4,9,13,16,11,10,18,3,12,19,20,17/E:(18,19)/CRV:15.5/rA:20nCCOCCCCCCNCOCCCCSN+OO-/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;d13;s14;d15;s13s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N2O4S
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.13257
Area:468.016
Solvation:-8.56782
Coulombic:-40.78
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.296
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.05
LogP (Chemaxon):2.35

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