85507-69-3
(E)-1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Molecular Identity
85507-69-3
(E)-1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
PubChem CID: 5712222
2D Structure
Properties
C16H13NO3
Molecular Formula
267.28
Molecular Weight
g/mol
267.0895
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
62.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
378
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
85507-69-3Extract of aloeAloe vera, ext.Curacao aloe extractBarbados aloe extractAloe barbadensis extractRefChem:554962DTXSID501009961EINECS 287-390-8Aloe barbadensis Mill. (Liliaceae), extract1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one57026-80-9MFCD00017029NSC640537(E)-1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Data from PubChem (NCBI)
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