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Amb6675084

Duplicate ID
CAS Number 1000018-50-7
Molecule Name 5-(Hexamethylenimin-1-yl)-2-nitrobenzoic acid
5-Azepan-1-yl-2-nitrobenzoic acid
SmilesOC(=O)c1cc(ccc1[N+](=O)[O-])N1CCCCCC1
InchiKeyPWQLQASFACMTGY-UHFFFAOYSA-N
InChi InChI=1S/C13H16N2O4/c16-13(17)11-9-10(5-6-12(11)15(18)19)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,16,17)
Formula C13H16N2O4
Molecular weight 264.277
Rings 2
logP 3.2616
PSA 86.36
MR 76.4793
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