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Amb19522980

Duplicate ID
Molecule Name 10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one
SmilesO=C1C2=C(N=C3CCCCCN31)c1ccccc1CC12CCCCC1
InchiKeyDTKMVWZKEUHMRJ-UHFFFAOYSA-N
InChi InChI=1S/C22H26N2O/c25-21-19-20(23-18-11-3-1-8-14-24(18)21)17-10-5-4-9-16(17)15-22(19)12-6-2-7-13-22/h4-5,9-10H,1-3,6-8,11-15H2
Formula C22H26N2O
Molecular weight 334.455
Rings 5
logP 4.3947
PSA 34.89
MR 102.09
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