CID 88930307

C18H15AsO3 — CID 88930307

IUPAC—
SMILESCc1c([As])cccc1Cc1c(C)c2ccc(O)cc2oc1=O
InChIInChI=1S/C18H15AsO3/c1-10-12(4-3-5-16(10)19)8-15-11(2)14-7-6-13(20)9-17(14)22-18(15)21/h3-7,9,20H,8H2,1-2H3
InChIKeyZMORRABZDVIQJS-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.50
Rot. Bonds2

About CID 88930307

CID 88930307 (PubChem CID 88930307) has the molecular formula C18H15AsO3 and a molecular weight of 354.24 g/mol.

Molecular Properties

Compound NameCID 88930307
PubChem CID88930307
Molecular FormulaC18H15AsO3
Molecular Weight354.24 g/mol
Exact Mass354.02
IUPAC Name—
SMILESCc1c([As])cccc1Cc1c(C)c2ccc(O)cc2oc1=O
InChIInChI=1S/C18H15AsO3/c1-10-12(4-3-5-16(10)19)8-15-11(2)14-7-6-13(20)9-17(14)22-18(15)21/h3-7,9,20H,8H2,1-2H3
InChIKeyZMORRABZDVIQJS-UHFFFAOYSA-N
XLogP2.50
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 71664587
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3-[(5-amino-3-pyridinyl)methyl]-7-hydroxy-4-methylchromen-2-one
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4-ethyl-7-hydroxy-3-methylchromen-2-one
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CID 6229285
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 6229314
(2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
CID 5417121
7-hydroxy-3,4-bis(hydroxymethyl)chromen-2-one
CID 58676736

Frequently Asked Questions

What is the IUPAC name of CID 88930307?
The IUPAC name of CID 88930307 (CID 88930307) is not available.
What is the SMILES notation for CID 88930307?
The canonical SMILES for CID 88930307 is Cc1c([As])cccc1Cc1c(C)c2ccc(O)cc2oc1=O.
What is the InChIKey of CID 88930307?
The InChIKey is ZMORRABZDVIQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15AsO3/c1-10-12(4-3-5-16(10)19)8-15-11(2)14-7-6-13(20)9-17(14)22-18(15)21/h3-7,9,20H,8H2,1-2H3.
What are the key properties of CID 88930307?
CID 88930307 has a molecular weight of 354.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88930307 is sourced from PubChem (CID 88930307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).