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

C17H12NO4Cl | Cheminformatics
Menu

(NE)-N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine

Molecular Formula : C17H12NO4Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(NE)-N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine is a drug-like molecule.

MolName : (NE)-N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine

MolecularFormula : C17H12NO4Cl

Smiles : O/N=C1/c(cc(cc2)Cl)c2OC(c(cc2)cc3c2OCCO3)=C1

InChI : InChI=1S/C17H12ClNO4/c18-11-2-4-14-12(8-11)13(19-20)9-16(23-14)10-1-3-15-17(7-10)22-6-5-21-15/h1-4,7-9,20H,5-6H2

InChIK : XDPIRDJCRJBJRK-UHFFFAOYSA-N

TotalMolweight : 329.738

Molweight : 329.738

MonoisotopicMass : 329.045486

CLogP : 4.579

CLogS : -5.037

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 232.99

Relative PSA : 0.23439

PolarSurfaceArea : 60.28

Druglikeness : -7.498

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.56522

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 1

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

StereoCon :

Click to Load Molecule:
1 - (NE)-N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine
2 - (NE)-N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (NE)-N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine


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