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

C14H10N2O2BrF | Cheminformatics
Menu

[(E)-[amino-(4-bromophenyl)methylidene]amino] 4-fluorobenzoate

Molecular Formula : C14H10N2O2BrF | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
[(E)-[amino-(4-bromophenyl)methylidene]amino] 4-fluorobenzoate is a drug-like molecule.

MolName : [(E)-[amino-(4-bromophenyl)methylidene]amino] 4-fluorobenzoate

MolecularFormula : C14H10N2O2BrF

Smiles : N/C(/c(cc1)ccc1Br)=N/OC(c(cc1)ccc1F)=O

InChI : InChI=1S/C14H10BrFN2O2/c15-11-5-1-9(2-6-11)13(17)18-20-14(19)10-3-7-12(16)8-4-10/h1-8H,(H2,17,18)

InChIK : OVPYGWCZTZCEKD-UHFFFAOYSA-N

TotalMolweight : 337.147

Molweight : 337.147

MonoisotopicMass : 335.990967

CLogP : 3.8981

CLogS : -4.684

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 217.24

Relative PSA : 0.22933

PolarSurfaceArea : 64.68

Druglikeness : -5.884

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.7

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 1

Symmetricatoms : 4

StereoCon :

Click to Load Molecule:
1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 4-fluorobenzoate
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | [(E)-[amino-(4-bromophenyl)methylidene]amino] 4-fluorobenzoate


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