Chemical ID: 4297614

c1ccc2c(c1)c(c(s2)C(=O)Nc3cccc(c3)[N+](=O)[O-])Cl
Chemical ID:
4297614
Name [?]:
3-chloro-N-(3-nitrophenyl)-benzothiophene-2-carboxamide
SMILES [?]:
c1ccc2c(c1)c(c(s2)C(=O)Nc3cccc(c3)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C15H9ClN2O3S/c16-13-11-6-1-2-7-12(11)22-14(13)15(19)17-9-4-3-5-10(8-9)18(20)21/h1-8H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,16,6,3,18,13,17,5,4,7,8,10,22,12,19,11,20,21,9/E:(20,21)/CRV:18.5/rA:22nCCCCCCCCSCONCCCCCCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9ClN2O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.24403
Area:505.241
Solvation:-7.38699
Coulombic:-34.6853
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.762
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.67
LogP (Chemaxon):4.37

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