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5-Fluoro ADB Metabolite 7

CAS: 2365471-39-0
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2365471-39-0

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1 5-Fluoro ADB Metabolite 7
2 (s)-2-(1-(5-fluoropentyl)-1h-indazole-3-carboxamido)-3,3-dimethylbutanoic acid
3 (S)-2-(1-(5-fluoropentyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoicacid
4 DTXSID301019273
5 5-fluoro MDMB-PINACA metabolite 7

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Molecular Formula C19H26FN3O3
Canonical SMILES
Isomeric SMILES
Molecular Weight 363.4000
InChIKey MVDXLPCBCLGFHC-MRXNPFEDSA-N
InChI InChI=1S/C19H26FN3O3/c1-19(2,3)16(18(25)26)21-17(24)15-13-9-5-6-10-14(13)23(22-15)12-8-4-7-11-20/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3,(H,21,24)(H,25,26)/t16-/m1/s1
XLogP 3.9000
ExactMass 363.1958
MonoisotopicMass 363.1958
TPSA 84.2000
Complexity 495.0000
Charge 0.0000
HBondDonorCount 2
HBondAcceptorCount 5
RotatableBondCount 9
HeavyAtomCount 26
IsotopeAtomCount 0
AtomStereoCount 1
DefinedAtomStereoCount 1
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 0
PatentFamilyCount 0
LiteratureCount 2