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Reference, SMILES, CAS
number
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Amb694027
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Duplicate ID
Amb5278168
Molecule Name
10,10-dichloro-N-(4-nitrophenyl)tricyclo[7.1.0.0(4,6)]decane-5-carboxamide
10,10-dichloro-N-(4-nitrophenyl)tricyclo[7.1.0.0~4,6~]decane-5-carboxamide
Smiles
O=C(C1C2C1CCC1C(CC2)C1(Cl)Cl)Nc1ccc(cc1)[N+](=O)[O-]
InchiKey
XPDKBYXIHXVCHA-UHFFFAOYSA-N
InChi
InChI=1S/C17H18Cl2N2O3/c18-17(19)13-7-5-11-12(6-8-14(13)17)15(11)16(22)20-9-1-3-10(4-2-9)21(23)24/h1-4,11-15H,5-8H2,(H,20,22)
Formula
C17H18Cl2N2O3
Molecular weight
369.242
Rings
4
logP
4.9856
PSA
74.92
MR
96.1277
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