CID 70518254

C15H14NO3Si — CID 70518254

IUPAC—
SMILESC=C[Si](OCc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H14NO3Si/c1-2-20(14-9-4-3-5-10-14)19-12-13-8-6-7-11-15(13)16(17)18/h2-11H,1,12H2
InChIKeyBZXVFOJQLJDCMC-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.74
Rot. Bonds6

About CID 70518254

CID 70518254 (PubChem CID 70518254) has the molecular formula C15H14NO3Si and a molecular weight of 284.37 g/mol.

Molecular Properties

Compound NameCID 70518254
PubChem CID70518254
Molecular FormulaC15H14NO3Si
Molecular Weight284.37 g/mol
Exact Mass284.07
IUPAC Name—
SMILESC=C[Si](OCc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H14NO3Si/c1-2-20(14-9-4-3-5-10-14)19-12-13-8-6-7-11-15(13)16(17)18/h2-11H,1,12H2
InChIKeyBZXVFOJQLJDCMC-UHFFFAOYSA-N
XLogP2.74
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.74
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'}

Analyze CID 70518254 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
(2-nitrophenyl)methyl sulfite
CID 89385987
(2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane
CID 18696391
(2-nitrophenyl)methoxymethanamine
CID 175012109
bis[(2-nitrophenyl)methoxy]-diphenylsilane
CID 22342274
2-[(2-nitrophenyl)methoxy]-2-oxoacetic acid
CID 166021267
(2-nitrophenyl)methyl carbamate
CID 21490181
(2-nitrophenyl)methyl benzenesulfonate
CID 22556387
1-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688
(2-nitrophenyl)methyl dihydrogen phosphate
CID 54116745
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692
3-(2-nitrophenyl)propyl prop-2-enoate
CID 70496530

Frequently Asked Questions

What is the IUPAC name of CID 70518254?
The IUPAC name of CID 70518254 (CID 70518254) is not available.
What is the SMILES notation for CID 70518254?
The canonical SMILES for CID 70518254 is C=C[Si](OCc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of CID 70518254?
The InChIKey is BZXVFOJQLJDCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NO3Si/c1-2-20(14-9-4-3-5-10-14)19-12-13-8-6-7-11-15(13)16(17)18/h2-11H,1,12H2.
What are the key properties of CID 70518254?
CID 70518254 has a molecular weight of 284.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70518254 is sourced from PubChem (CID 70518254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).