Chemical ID: 7314615

c1cc(sc1)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
Chemical ID:
7314615
Name [?]:
4-chloro-3-nitro-N-(2-thienylmethyl)benzamide
SMILES [?]:
c1cc(sc1)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C12H9ClN2O3S/c13-10-4-3-8(6-11(10)15(17)18)12(16)14-7-9-2-1-5-19-9/h1-6H,7H2,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,5,15,6,10,3,13,14,8,19,7,16,9,17,18,4/E:(17,18)/CRV:15.5/rA:19nCCCSCCNCOCCCCCCN+OO-Cl/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9ClN2O3S
All Atoms:28
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.04948
Area:480.489
Solvation:-7.96275
Coulombic:-32.9047
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:296.73
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.59
LogP (Chemaxon):2.61

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