CID 19086797

C19H20ClN3OSi — CID 19086797

IUPAC—
SMILESCc1cccc([Si]CC(O)(Cn2cncn2)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H20ClN3OSi/c1-14-4-3-5-18(15(14)2)25-11-19(24,10-23-13-21-12-22-23)16-6-8-17(20)9-7-16/h3-9,12-13,24H,10-11H2,1-2H3
InChIKeyVZBKHJQCJLSBMT-UHFFFAOYSA-N
MW369.93 g/mol
LogP2.88
Rot. Bonds6

About CID 19086797

CID 19086797 (PubChem CID 19086797) has the molecular formula C19H20ClN3OSi and a molecular weight of 369.93 g/mol.

Molecular Properties

Compound NameCID 19086797
PubChem CID19086797
Molecular FormulaC19H20ClN3OSi
Molecular Weight369.93 g/mol
Exact Mass369.11
IUPAC Name—
SMILESCc1cccc([Si]CC(O)(Cn2cncn2)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H20ClN3OSi/c1-14-4-3-5-18(15(14)2)25-11-19(24,10-23-13-21-12-22-23)16-6-8-17(20)9-7-16/h3-9,12-13,24H,10-11H2,1-2H3
InChIKeyVZBKHJQCJLSBMT-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.93
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 19086797?
The IUPAC name of CID 19086797 (CID 19086797) is not available.
What is the SMILES notation for CID 19086797?
The canonical SMILES for CID 19086797 is Cc1cccc([Si]CC(O)(Cn2cncn2)c2ccc(Cl)cc2)c1C.
What is the InChIKey of CID 19086797?
The InChIKey is VZBKHJQCJLSBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OSi/c1-14-4-3-5-18(15(14)2)25-11-19(24,10-23-13-21-12-22-23)16-6-8-17(20)9-7-16/h3-9,12-13,24H,10-11H2,1-2H3.
What are the key properties of CID 19086797?
CID 19086797 has a molecular weight of 369.93 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19086797 is sourced from PubChem (CID 19086797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).