Jbpos-0101
[(1S,2S)-1-(2-chlorophenyl)-1-hydroxypropan-2-yl] carbamate
Molecular Identity
Jbpos-0101
[(1S,2S)-1-(2-chlorophenyl)-1-hydroxypropan-2-yl] carbamate
PubChem CID: 57524523
2D Structure
Properties
C10H12ClNO3
Molecular Formula
229.66
Molecular Weight
g/mol
229.0506
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
72.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
225
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(C1=CC=CC=C1Cl)O)OC(=O)NIsomeric SMILES
SMILES: C[C@@H]([C@H](C1=CC=CC=C1Cl)O)OC(=O)NSynonyms(19)
JBPOS0101JBPOS-0101UNII-D7NM51C3GU1-(2-Chlorophenyl)-1-(S)-hydroxy-2-(S)-carbamoyloxy-propane1,2-PROPANEDIOL, 1-(2-CHLOROPHENYL)-, 2-CARBAMATE, (1S,2S)-RefChem:1504491353949-71-9D7NM51C3GU1-(2-Chlorophenyl)-1-hydroxy-2-propyl (1S,2S)-Carbamateorb2815378SCHEMBL3437156CHEMBL4594413SCHEMBL29982650MFCD35206548NSC825070
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Jbpos-0101
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