CID 87501562

C17H18AsNO — CID 87501562

IUPAC—
SMILESCc1cccc(-c2cncc(OCC3(C[As])CC3)c2)c1
InChIInChI=1S/C17H18AsNO/c1-13-3-2-4-14(7-13)15-8-16(10-19-9-15)20-12-17(11-18)5-6-17/h2-4,7-10H,5-6,11-12H2,1H3
InChIKeyYDWWJPJODJTFAB-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.80
Rot. Bonds5

About CID 87501562

CID 87501562 (PubChem CID 87501562) has the molecular formula C17H18AsNO and a molecular weight of 327.26 g/mol.

Molecular Properties

Compound NameCID 87501562
PubChem CID87501562
Molecular FormulaC17H18AsNO
Molecular Weight327.26 g/mol
Exact Mass327.06
IUPAC Name—
SMILESCc1cccc(-c2cncc(OCC3(C[As])CC3)c2)c1
InChIInChI=1S/C17H18AsNO/c1-13-3-2-4-14(7-13)15-8-16(10-19-9-15)20-12-17(11-18)5-6-17/h2-4,7-10H,5-6,11-12H2,1H3
InChIKeyYDWWJPJODJTFAB-UHFFFAOYSA-N
XLogP3.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine
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3-methyl-5-(3-propoxyphenyl)pyridine
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3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
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3-[5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]benzoic acid;dihydrochloride
CID 68782480
[1-[1-[[5-(3-chlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid
CID 68780930
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine
CID 68527301
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
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3-(5-ethoxy-3-pyridinyl)-N-methylaniline
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3-ethyl-3-[(3-methylphenoxy)methyl]oxetane
CID 70976864
8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 42851797

Frequently Asked Questions

What is the IUPAC name of CID 87501562?
The IUPAC name of CID 87501562 (CID 87501562) is not available.
What is the SMILES notation for CID 87501562?
The canonical SMILES for CID 87501562 is Cc1cccc(-c2cncc(OCC3(C[As])CC3)c2)c1.
What is the InChIKey of CID 87501562?
The InChIKey is YDWWJPJODJTFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18AsNO/c1-13-3-2-4-14(7-13)15-8-16(10-19-9-15)20-12-17(11-18)5-6-17/h2-4,7-10H,5-6,11-12H2,1H3.
What are the key properties of CID 87501562?
CID 87501562 has a molecular weight of 327.26 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87501562 is sourced from PubChem (CID 87501562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).