CID 87937635

C19H11AsClFN5 — CID 87937635

IUPAC—
SMILESN#Cc1c(Cl)ncnc1[As]c1ccc2c(cnn2Cc2cccc(F)c2)c1
InChIInChI=1S/C19H11AsClFN5/c21-19-16(8-23)18(24-11-25-19)20-14-4-5-17-13(7-14)9-26-27(17)10-12-2-1-3-15(22)6-12/h1-7,9,11H,10H2
InChIKeyQVYFKAVRADERGY-UHFFFAOYSA-N
MW438.71 g/mol
LogP2.19
Rot. Bonds4

About CID 87937635

CID 87937635 (PubChem CID 87937635) has the molecular formula C19H11AsClFN5 and a molecular weight of 438.71 g/mol.

Molecular Properties

Compound NameCID 87937635
PubChem CID87937635
Molecular FormulaC19H11AsClFN5
Molecular Weight438.71 g/mol
Exact Mass437.99
IUPAC Name—
SMILESN#Cc1c(Cl)ncnc1[As]c1ccc2c(cnn2Cc2cccc(F)c2)c1
InChIInChI=1S/C19H11AsClFN5/c21-19-16(8-23)18(24-11-25-19)20-14-4-5-17-13(7-14)9-26-27(17)10-12-2-1-3-15(22)6-12/h1-7,9,11H,10H2
InChIKeyQVYFKAVRADERGY-UHFFFAOYSA-N
XLogP2.19
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87937635?
The IUPAC name of CID 87937635 (CID 87937635) is not available.
What is the SMILES notation for CID 87937635?
The canonical SMILES for CID 87937635 is N#Cc1c(Cl)ncnc1[As]c1ccc2c(cnn2Cc2cccc(F)c2)c1.
What is the InChIKey of CID 87937635?
The InChIKey is QVYFKAVRADERGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11AsClFN5/c21-19-16(8-23)18(24-11-25-19)20-14-4-5-17-13(7-14)9-26-27(17)10-12-2-1-3-15(22)6-12/h1-7,9,11H,10H2.
What are the key properties of CID 87937635?
CID 87937635 has a molecular weight of 438.71 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87937635 is sourced from PubChem (CID 87937635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).