Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C7H4Cl3F | Cheminformatics
Menu

1-chloro-4-[dichloro(fluoro)methyl]benzene

Molecular Formula : C7H4Cl3F | Mutagenic : high | Tumorigenic : low | Reproductive Effective : high |
1-chloro-4-[dichloro(fluoro)methyl]benzene is a drug-like molecule.

MolName : 1-chloro-4-[dichloro(fluoro)methyl]benzene

MolecularFormula : C7H4Cl3F

Smiles : FC(c(cc1)ccc1Cl)(Cl)Cl

InChI : InChI=1S/C7H4Cl3F/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChIK : SDNGKOJRIZVNQA-UHFFFAOYSA-N

TotalMolweight : 213.466

Molweight : 213.466

MonoisotopicMass : 211.936259

CLogP : 3.8646

CLogS : -4.346

TotalSurfaceArea : 136.28

Druglikeness : -3.5051

Mutagenic : high

Tumorigenic : low

Reproductive Effective : high

Irritant : high

Nasty Functions : allyl/benzyl chloride

Shape Index : 0.63636

Fragments : 1

Non HAtoms : 11

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 1

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 1

Symmetricatoms : 3

StereoCon :

Click to Load Molecule:
1 - 1-chloro-4-[dichloro(fluoro)methyl]benzene
2 - 1-chloro-4-[dichloro(fluoro)methyl]benzene
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | 1-chloro-4-[dichloro(fluoro)methyl]benzene


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments