Sanitize It Yourself
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Molecule Info
Ro5
SMILES
CC1=C(C(=O)OC(C)C)[C@H](C)N=C1C(=O)Nc1ncc(C)s1
InChIKey
DEIILLTUZLBWDH-JTQLQIEISA-N
Molecular Weight
321.11
Calculated LogP
2.50
Hydrogen bond donors
1
Hydrogen bond acceptors
6
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