Monastrol

C14H16N2O3SCAS 254753-54-3292.35 g/mol

Open in Covalent MOL file
OONHSHNHO
AlkeneEsterPhenol

Properties

Molecular formula
C14H16N2O3S
Molar mass
292.35 g/mol
Exact mass
292.0882 Da
logP
1.75Crippen estimate
Polar surface area
70.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
254753-54-3
SMILES
CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=CC=C2)O)C
InChIKey
LOBCDGHHHHGHFA-LBPRGKRZSA-N
InChI
InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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