General Information of the Compound
| Compound ID |
CP0346800
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| Compound Name |
(1S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
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| Structure |
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| Formula |
C11H11Cl2N
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| Molecular Weight |
228.122
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| Canonical SMILES |
Clc1ccc(cc1Cl)[C@]12CC1CNC2
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| InChI |
InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8?,11-/m1/s1
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| InChIKey |
BSMNRYCSBFHEMQ-QHDYGNBISA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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