Chemical ID: 6151046

CCOC(=O)c1ccc(cc1)NC(=O)c2ccc(s2)[N+](=O)[O-]
Chemical ID:
6151046
Name [?]:
ethyl 4-[(5-nitro-2-thienyl)carbonylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)c2ccc(s2)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H12N2O5S/c1-2-21-14(18)9-3-5-10(6-4-9)15-13(17)11-7-8-12(22-11)16(19)20/h3-8H,2H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,7,11,8,10,16,17,6,9,15,18,13,4,12,20,14,5,21,22,3,19/E:(3,4)(5,6)(19,20)/CRV:16.5/rA:22nCCOCOCCCCCCNCOCCCCSN+OO-/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;d15;s16;d17;s15s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2O5S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:4.59822
Area:532.333
Solvation:-8.71011
Coulombic:-52.8342
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:320.322
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.14
LogP (Chemaxon):2.29

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