CID 70146789

C10H12NO3Si — CID 70146789

IUPAC—
SMILESCc1cccc(C(C)(C)O[Si])c1[N+](=O)[O-]
InChIInChI=1S/C10H12NO3Si/c1-7-5-4-6-8(9(7)11(12)13)10(2,3)14-15/h4-6H,1-3H3
InChIKeyDPOXNWOUQLTRJN-UHFFFAOYSA-N
MW222.30 g/mol
LogP2.24
Rot. Bonds3

About CID 70146789

CID 70146789 (PubChem CID 70146789) has the molecular formula C10H12NO3Si and a molecular weight of 222.30 g/mol.

Molecular Properties

Compound NameCID 70146789
PubChem CID70146789
Molecular FormulaC10H12NO3Si
Molecular Weight222.30 g/mol
Exact Mass222.06
IUPAC Name—
SMILESCc1cccc(C(C)(C)O[Si])c1[N+](=O)[O-]
InChIInChI=1S/C10H12NO3Si/c1-7-5-4-6-8(9(7)11(12)13)10(2,3)14-15/h4-6H,1-3H3
InChIKeyDPOXNWOUQLTRJN-UHFFFAOYSA-N
XLogP2.24
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 70146789?
The IUPAC name of CID 70146789 (CID 70146789) is not available.
What is the SMILES notation for CID 70146789?
The canonical SMILES for CID 70146789 is Cc1cccc(C(C)(C)O[Si])c1[N+](=O)[O-].
What is the InChIKey of CID 70146789?
The InChIKey is DPOXNWOUQLTRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO3Si/c1-7-5-4-6-8(9(7)11(12)13)10(2,3)14-15/h4-6H,1-3H3.
What are the key properties of CID 70146789?
CID 70146789 has a molecular weight of 222.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70146789 is sourced from PubChem (CID 70146789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).