CID 158857904

C7H14BClNO3P — CID 158857904

IUPAC—
SMILES[B]C1CN(C)CC(COP(C)(=O)Cl)O1
InChIInChI=1S/C7H14BClNO3P/c1-10-3-6(13-7(8)4-10)5-12-14(2,9)11/h6-7H,3-5H2,1-2H3
InChIKeyACOMRJUQPJHUQF-UHFFFAOYSA-N
MW237.43 g/mol
LogP0.89
Rot. Bonds3

About CID 158857904

CID 158857904 (PubChem CID 158857904) has the molecular formula C7H14BClNO3P and a molecular weight of 237.43 g/mol.

Molecular Properties

Compound NameCID 158857904
PubChem CID158857904
Molecular FormulaC7H14BClNO3P
Molecular Weight237.43 g/mol
Exact Mass237.05
IUPAC Name—
SMILES[B]C1CN(C)CC(COP(C)(=O)Cl)O1
InChIInChI=1S/C7H14BClNO3P/c1-10-3-6(13-7(8)4-10)5-12-14(2,9)11/h6-7H,3-5H2,1-2H3
InChIKeyACOMRJUQPJHUQF-UHFFFAOYSA-N
XLogP0.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 158857904 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

[1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium
CID 161302078
CID 174319424
CID 174319424
2-[[3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(methyl)phosphoryl]oxymethyl]-4,6-dimethylmorpholine
CID 158824777
N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 135295878
N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine
CID 135178519
CID 158444799
CID 158444799
CID 159993073
CID 159993073
CID 177077919
CID 177077919
(2S,6R)-2,6-diethyl-4-methylmorpholine
CID 152824903
CID 87111489
CID 87111489
(5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane
CID 58640883
5-methyl-1-[(6S)-4-methyl-6-[[methyl(morpholin-4-yl)phosphoryl]oxymethyl]morpholin-2-yl]pyrimidine-2,4-dione
CID 140884152

Frequently Asked Questions

What is the IUPAC name of CID 158857904?
The IUPAC name of CID 158857904 (CID 158857904) is not available.
What is the SMILES notation for CID 158857904?
The canonical SMILES for CID 158857904 is [B]C1CN(C)CC(COP(C)(=O)Cl)O1.
What is the InChIKey of CID 158857904?
The InChIKey is ACOMRJUQPJHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BClNO3P/c1-10-3-6(13-7(8)4-10)5-12-14(2,9)11/h6-7H,3-5H2,1-2H3.
What are the key properties of CID 158857904?
CID 158857904 has a molecular weight of 237.43 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158857904 is sourced from PubChem (CID 158857904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).